TY  - CONF
AU  - Zarić, Milana
AU  - Kijevčanin, Mirjana
AU  - Radović, Ivona
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7244
AB  - Експериментална мерења и подаци су од суштинског значаја за пружање 
информација о својствима и понашању смеша. Међутим, компјутерски прорачуни у комбинацији са експерименталним мерењем могу пружити дубљи увид у понашање и интеракције на молекулском нивоу. За течне бинарне смеше нековалентне интеракције су проучаване квантним хемијским прорачунима и молекулско-динамичким симулацијама. Истражен је утицај различитих функционалних група,  попут двоструке везе са могућношћу π-π интеракције и -ОН групе са могућношћу водоничне везе. Поред тога, проучавали смо утицај геометрије молекула на својства бинарних смеша.
AB  - Experimental measurement and data are essential for providing the information of properties and behavior of mixtures. However, the computer calculations combined with experimental measurement can provide a deeper insight of behavior and interactions at the molecular level. For liquid binary mixtures the non-covalent interactions were studied with quantum chemical calculations and molecular dynamic simulations. The influence of different functional groups, like the double bond with possibility for the π-π interactions and the -OH group with possibility for the hydrogen bonding was investigated. In addition, we studied the influence of the geometry of the molecule on the properties of binary mixture.
PB  - Belgrade : Serbian Chemical Society
C3  - Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia
T1  - Ispitivanje međumolekulskih interakcija računarskim  simulacijama
T1  - Investigation of intermolecular interactions using computer  simulations
SP  - 137
EP  - 137
UR  - https://hdl.handle.net/21.15107/rcub_cer_7244
ER  - 

@conference{
author = "Zarić, Milana and Kijevčanin, Mirjana and Radović, Ivona",
year = "2023",
abstract = "Експериментална мерења и подаци су од суштинског значаја за пружање 
информација о својствима и понашању смеша. Међутим, компјутерски прорачуни у комбинацији са експерименталним мерењем могу пружити дубљи увид у понашање и интеракције на молекулском нивоу. За течне бинарне смеше нековалентне интеракције су проучаване квантним хемијским прорачунима и молекулско-динамичким симулацијама. Истражен је утицај различитих функционалних група,  попут двоструке везе са могућношћу π-π интеракције и -ОН групе са могућношћу водоничне везе. Поред тога, проучавали смо утицај геометрије молекула на својства бинарних смеша., Experimental measurement and data are essential for providing the information of properties and behavior of mixtures. However, the computer calculations combined with experimental measurement can provide a deeper insight of behavior and interactions at the molecular level. For liquid binary mixtures the non-covalent interactions were studied with quantum chemical calculations and molecular dynamic simulations. The influence of different functional groups, like the double bond with possibility for the π-π interactions and the -OH group with possibility for the hydrogen bonding was investigated. In addition, we studied the influence of the geometry of the molecule on the properties of binary mixture.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia",
title = "Ispitivanje međumolekulskih interakcija računarskim  simulacijama, Investigation of intermolecular interactions using computer  simulations",
pages = "137-137",
url = "https://hdl.handle.net/21.15107/rcub_cer_7244"
}

Zarić, M., Kijevčanin, M.,& Radović, I.. (2023). Ispitivanje međumolekulskih interakcija računarskim  simulacijama. in Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia
Belgrade : Serbian Chemical Society., 137-137.
https://hdl.handle.net/21.15107/rcub_cer_7244

Zarić M, Kijevčanin M, Radović I. Ispitivanje međumolekulskih interakcija računarskim  simulacijama. in Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia. 2023;:137-137.
https://hdl.handle.net/21.15107/rcub_cer_7244 .

Zarić, Milana, Kijevčanin, Mirjana, Radović, Ivona, "Ispitivanje međumolekulskih interakcija računarskim  simulacijama" in Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia (2023):137-137,
https://hdl.handle.net/21.15107/rcub_cer_7244 .

TY  - CONF
AU  - Zarić, Milana
AU  - Kijevčanin, Mirjana
AU  - Radović, Ivona
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6250
AB  - The thermodynamic properties of liquid mixtures depend on the geometry, actually on the shape of the molecules and  their ability to pack. In addition, the properties also depend on non-covalent interactions like Van der Waals, electrostatic  interactions, hydrogen bonding and π-π interactions. Each functional group in a molecule influences the geometry of the  molecule and the intermolecular interactions between molecules. In this work, the functional groups of double bond and  -OH group has been investigated and their influence on the properties of mixtures. The properties of mixtures (1) nhexane + 1-hexanol and (2) n-hexane + cis-3-hexen-1-ol have been investigated both with experimental measurement and  with computation molecular modeling. Experimental measurement considered measurements of density, viscosity,  refractive index and speed of sound at a range of temperature from (288.15 to 318.15) K and at complete composition  range. Excess molar volume and deviations of viscosity, refractive index and speed of sound has been calculated and  Redlich-Kister equation has been used for fitting the data. Considering the molecular modeling, the quantum chemical  calculations and molecular dynamic simulations have been performed. Different model systems are used order to  investigate the -OH group energy interaction and double bond / single bond intermolecular energy interactions. The  molecular dynamic simulations have been performed with the liquid mixtures.
PB  - Association of Metallurgical Engineers of Serbia (AMES)
C3  - Proceedings of the 5th Metallurgical and Materials Engineering Congress of South-East Europe, 7-10.06.2023, Trebinje, Bosnia and Herzegovina
T1  - Influence of functional groups on thermodynamic properties of binary mixtures
SP  - 301
EP  - 306
UR  - https://hdl.handle.net/21.15107/rcub_cer_6250
ER  - 

@conference{
author = "Zarić, Milana and Kijevčanin, Mirjana and Radović, Ivona",
year = "2023",
abstract = "The thermodynamic properties of liquid mixtures depend on the geometry, actually on the shape of the molecules and  their ability to pack. In addition, the properties also depend on non-covalent interactions like Van der Waals, electrostatic  interactions, hydrogen bonding and π-π interactions. Each functional group in a molecule influences the geometry of the  molecule and the intermolecular interactions between molecules. In this work, the functional groups of double bond and  -OH group has been investigated and their influence on the properties of mixtures. The properties of mixtures (1) nhexane + 1-hexanol and (2) n-hexane + cis-3-hexen-1-ol have been investigated both with experimental measurement and  with computation molecular modeling. Experimental measurement considered measurements of density, viscosity,  refractive index and speed of sound at a range of temperature from (288.15 to 318.15) K and at complete composition  range. Excess molar volume and deviations of viscosity, refractive index and speed of sound has been calculated and  Redlich-Kister equation has been used for fitting the data. Considering the molecular modeling, the quantum chemical  calculations and molecular dynamic simulations have been performed. Different model systems are used order to  investigate the -OH group energy interaction and double bond / single bond intermolecular energy interactions. The  molecular dynamic simulations have been performed with the liquid mixtures.",
publisher = "Association of Metallurgical Engineers of Serbia (AMES)",
journal = "Proceedings of the 5th Metallurgical and Materials Engineering Congress of South-East Europe, 7-10.06.2023, Trebinje, Bosnia and Herzegovina",
title = "Influence of functional groups on thermodynamic properties of binary mixtures",
pages = "301-306",
url = "https://hdl.handle.net/21.15107/rcub_cer_6250"
}

Zarić, M., Kijevčanin, M.,& Radović, I.. (2023). Influence of functional groups on thermodynamic properties of binary mixtures. in Proceedings of the 5th Metallurgical and Materials Engineering Congress of South-East Europe, 7-10.06.2023, Trebinje, Bosnia and Herzegovina
Association of Metallurgical Engineers of Serbia (AMES)., 301-306.
https://hdl.handle.net/21.15107/rcub_cer_6250

Zarić M, Kijevčanin M, Radović I. Influence of functional groups on thermodynamic properties of binary mixtures. in Proceedings of the 5th Metallurgical and Materials Engineering Congress of South-East Europe, 7-10.06.2023, Trebinje, Bosnia and Herzegovina. 2023;:301-306.
https://hdl.handle.net/21.15107/rcub_cer_6250 .

Zarić, Milana, Kijevčanin, Mirjana, Radović, Ivona, "Influence of functional groups on thermodynamic properties of binary mixtures" in Proceedings of the 5th Metallurgical and Materials Engineering Congress of South-East Europe, 7-10.06.2023, Trebinje, Bosnia and Herzegovina (2023):301-306,
https://hdl.handle.net/21.15107/rcub_cer_6250 .

TY  - CONF
AU  - Zarić, Milana
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7236
AB  - Experimental data of liquid binary mixtures can provide the thermodynamic 
and transport properties1
. Molecular dynamics simulations (MD) are preformed on 
the same mixtures at the same experimental conditions: at different temperatures and 
different mixture compositions. Molecular dynamics simulations can gain a deeper 
understanding of the behavior of liquid mixtures at the molecular level. It can be used 
for analyzing specific properties, such as the radial distribution functions (RDFs), 
interactions in the mixture, thermodynamic and transport properties, understanding 
the dynamics of the system. This information can be used to obtain insight into the 
molecular level, to understand the nature of the interaction and to predict the behavior 
under specific conditions. The right force field are essential for describing the system 
and using the density of the simulated systems as a represented data to compare to 
the experimental data. We performed experimental measurements and molecular 
dynamics simulations on four systems to study influence of double bonds on the 
properties of alcohol mixtures. The data of the molecular dynamic simulations are in 
an agreement with the data from experimental measurement, and at the same time we 
can observe interactions at the molecular level that indicate different noncovalent 
interactions of double bonds in comparison with single bonds.
PB  - Society of Chemists and Technologists of Macedonia
C3  - Book of abstracts - 26th Congress of Chemists and Technologysts of Macedonia, 20–23 September 2023, Metropol Lake Resort Ohrid, N. Macedonia
T1  - Molecular Dynamic Simulations in Binary Liquid Mixtures
SP  - 56
EP  - 56
UR  - https://hdl.handle.net/21.15107/rcub_cer_7236
ER  - 

@conference{
author = "Zarić, Milana and Radović, Ivona and Kijevčanin, Mirjana",
year = "2023",
abstract = "Experimental data of liquid binary mixtures can provide the thermodynamic 
and transport properties1
. Molecular dynamics simulations (MD) are preformed on 
the same mixtures at the same experimental conditions: at different temperatures and 
different mixture compositions. Molecular dynamics simulations can gain a deeper 
understanding of the behavior of liquid mixtures at the molecular level. It can be used 
for analyzing specific properties, such as the radial distribution functions (RDFs), 
interactions in the mixture, thermodynamic and transport properties, understanding 
the dynamics of the system. This information can be used to obtain insight into the 
molecular level, to understand the nature of the interaction and to predict the behavior 
under specific conditions. The right force field are essential for describing the system 
and using the density of the simulated systems as a represented data to compare to 
the experimental data. We performed experimental measurements and molecular 
dynamics simulations on four systems to study influence of double bonds on the 
properties of alcohol mixtures. The data of the molecular dynamic simulations are in 
an agreement with the data from experimental measurement, and at the same time we 
can observe interactions at the molecular level that indicate different noncovalent 
interactions of double bonds in comparison with single bonds.",
publisher = "Society of Chemists and Technologists of Macedonia",
journal = "Book of abstracts - 26th Congress of Chemists and Technologysts of Macedonia, 20–23 September 2023, Metropol Lake Resort Ohrid, N. Macedonia",
title = "Molecular Dynamic Simulations in Binary Liquid Mixtures",
pages = "56-56",
url = "https://hdl.handle.net/21.15107/rcub_cer_7236"
}

Zarić, M., Radović, I.,& Kijevčanin, M.. (2023). Molecular Dynamic Simulations in Binary Liquid Mixtures. in Book of abstracts - 26th Congress of Chemists and Technologysts of Macedonia, 20–23 September 2023, Metropol Lake Resort Ohrid, N. Macedonia
Society of Chemists and Technologists of Macedonia., 56-56.
https://hdl.handle.net/21.15107/rcub_cer_7236

Zarić M, Radović I, Kijevčanin M. Molecular Dynamic Simulations in Binary Liquid Mixtures. in Book of abstracts - 26th Congress of Chemists and Technologysts of Macedonia, 20–23 September 2023, Metropol Lake Resort Ohrid, N. Macedonia. 2023;:56-56.
https://hdl.handle.net/21.15107/rcub_cer_7236 .

Zarić, Milana, Radović, Ivona, Kijevčanin, Mirjana, "Molecular Dynamic Simulations in Binary Liquid Mixtures" in Book of abstracts - 26th Congress of Chemists and Technologysts of Macedonia, 20–23 September 2023, Metropol Lake Resort Ohrid, N. Macedonia (2023):56-56,
https://hdl.handle.net/21.15107/rcub_cer_7236 .

TY  - CONF
AU  - Zarić, Milana
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7245
AB  - Insight in different types of mixtures’ properties has a great impact in understanding and 
predicting the behavior of mixtures. The properties of liquid mixtures, such as volumetric and 
transport properties depend on the geometry and steric effects, however, they also depend on 
noncovalent interactions between molecules. The behavior depends on the functional groups of 
molecules; the functional groups that were investigated in our work were double bond and -OH 
group. Double bonds are present in many structures, like fatty acids and have role in many 
processes, like in polymerization and petrochemical processes. In order to investigate the 
influence of double bond and -OH group, two sets of mixtures are investigated: (1) n-hexane + 
1-hexanol and n-hexane + cis-3-hexen-1-ol and (2) n-octane + 1-hexanol and 1-octene + 1-
hexanol. The mixtures are examined experimentally and theoretically. Experimental aspect 
includes measurement of thermodynamic and transport properties: density and viscosity at the 
whole composition range at various temperatures, from (288.15 to 318.15) K. Based on the 
experimental data, excess molar volumes (VE
) and viscosity deviations (Δη) were calculated and 
for fitting the calculated data the Redlich-Kister equation was used. The theoretical aspect 
includes two methods: quantum mechanical calculations and simulations with Molecular 
Dynamic (MD). Quantum mechanical calculations provide information of the intermolecular 
interactions between two molecules. It also provides information about the geometry and 
interaction energies between molecules. It is done on model systems representing the influence 
of the functional groups; double bond and -OH group. Molecular Dynamics is a good tool for 
connecting the microscopic and macroscopic properties. The MD is based on the solving step by-step the equation of motion, predicting the dynamics of the system. MD simulations were 
performed in GROMACS using the simulation time of 2 ns. The combination of experimental and 
theoretical studies gives a good knowledge on the properties of the mixtures, as well as 
explanation and understanding of these properties.
PB  - University of East Sarajevo, Faculty of Technology
C3  - Book of abstracts - VIII International Congress “Engineering, Environment and Materials in Process Industry“ (EEM2023), March 20-23, Jahorina, Republic of Srpska, Bosnia and Herzegvina
T1  - Thermodynamic properties of binary mixtures: experimental and computational methodology
SP  - 171
EP  - 171
UR  - https://hdl.handle.net/21.15107/rcub_cer_7245
ER  - 

@conference{
author = "Zarić, Milana and Radović, Ivona and Kijevčanin, Mirjana",
year = "2023",
abstract = "Insight in different types of mixtures’ properties has a great impact in understanding and 
predicting the behavior of mixtures. The properties of liquid mixtures, such as volumetric and 
transport properties depend on the geometry and steric effects, however, they also depend on 
noncovalent interactions between molecules. The behavior depends on the functional groups of 
molecules; the functional groups that were investigated in our work were double bond and -OH 
group. Double bonds are present in many structures, like fatty acids and have role in many 
processes, like in polymerization and petrochemical processes. In order to investigate the 
influence of double bond and -OH group, two sets of mixtures are investigated: (1) n-hexane + 
1-hexanol and n-hexane + cis-3-hexen-1-ol and (2) n-octane + 1-hexanol and 1-octene + 1-
hexanol. The mixtures are examined experimentally and theoretically. Experimental aspect 
includes measurement of thermodynamic and transport properties: density and viscosity at the 
whole composition range at various temperatures, from (288.15 to 318.15) K. Based on the 
experimental data, excess molar volumes (VE
) and viscosity deviations (Δη) were calculated and 
for fitting the calculated data the Redlich-Kister equation was used. The theoretical aspect 
includes two methods: quantum mechanical calculations and simulations with Molecular 
Dynamic (MD). Quantum mechanical calculations provide information of the intermolecular 
interactions between two molecules. It also provides information about the geometry and 
interaction energies between molecules. It is done on model systems representing the influence 
of the functional groups; double bond and -OH group. Molecular Dynamics is a good tool for 
connecting the microscopic and macroscopic properties. The MD is based on the solving step by-step the equation of motion, predicting the dynamics of the system. MD simulations were 
performed in GROMACS using the simulation time of 2 ns. The combination of experimental and 
theoretical studies gives a good knowledge on the properties of the mixtures, as well as 
explanation and understanding of these properties.",
publisher = "University of East Sarajevo, Faculty of Technology",
journal = "Book of abstracts - VIII International Congress “Engineering, Environment and Materials in Process Industry“ (EEM2023), March 20-23, Jahorina, Republic of Srpska, Bosnia and Herzegvina",
title = "Thermodynamic properties of binary mixtures: experimental and computational methodology",
pages = "171-171",
url = "https://hdl.handle.net/21.15107/rcub_cer_7245"
}

Zarić, M., Radović, I.,& Kijevčanin, M.. (2023). Thermodynamic properties of binary mixtures: experimental and computational methodology. in Book of abstracts - VIII International Congress “Engineering, Environment and Materials in Process Industry“ (EEM2023), March 20-23, Jahorina, Republic of Srpska, Bosnia and Herzegvina
University of East Sarajevo, Faculty of Technology., 171-171.
https://hdl.handle.net/21.15107/rcub_cer_7245

Zarić M, Radović I, Kijevčanin M. Thermodynamic properties of binary mixtures: experimental and computational methodology. in Book of abstracts - VIII International Congress “Engineering, Environment and Materials in Process Industry“ (EEM2023), March 20-23, Jahorina, Republic of Srpska, Bosnia and Herzegvina. 2023;:171-171.
https://hdl.handle.net/21.15107/rcub_cer_7245 .

Zarić, Milana, Radović, Ivona, Kijevčanin, Mirjana, "Thermodynamic properties of binary mixtures: experimental and computational methodology" in Book of abstracts - VIII International Congress “Engineering, Environment and Materials in Process Industry“ (EEM2023), March 20-23, Jahorina, Republic of Srpska, Bosnia and Herzegvina (2023):171-171,
https://hdl.handle.net/21.15107/rcub_cer_7245 .

TY  - CONF
AU  - Zarić, Milana
AU  - Crista, F.
AU  - Hotea, I.
AU  - Berbecca, A.
AU  - Imbrea, I.
AU  - Imbrea, I.
AU  - Radulov, I.
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7440
AB  - The aim of this study was to monitor the presence of more than 250 pesticides in soil samples from Serbia and Romania.
PB  - Dignified Research Publication
C3  - 40th DUBAI International Conference on “Chemical, Biological, Environment & Natural Resources” (CBENR-22), November 21-23 2022, Dubai, UAE
T1  - Agricultural Soil Pollution with Pesticides
SP  - 28
EP  - 28
UR  - https://hdl.handle.net/21.15107/rcub_cer_7440
ER  - 

@conference{
author = "Zarić, Milana and Crista, F. and Hotea, I. and Berbecca, A. and Imbrea, I. and Imbrea, I. and Radulov, I.",
year = "2022",
abstract = "The aim of this study was to monitor the presence of more than 250 pesticides in soil samples from Serbia and Romania.",
publisher = "Dignified Research Publication",
journal = "40th DUBAI International Conference on “Chemical, Biological, Environment & Natural Resources” (CBENR-22), November 21-23 2022, Dubai, UAE",
title = "Agricultural Soil Pollution with Pesticides",
pages = "28-28",
url = "https://hdl.handle.net/21.15107/rcub_cer_7440"
}

Zarić, M., Crista, F., Hotea, I., Berbecca, A., Imbrea, I., Imbrea, I.,& Radulov, I.. (2022). Agricultural Soil Pollution with Pesticides. in 40th DUBAI International Conference on “Chemical, Biological, Environment & Natural Resources” (CBENR-22), November 21-23 2022, Dubai, UAE
Dignified Research Publication., 28-28.
https://hdl.handle.net/21.15107/rcub_cer_7440

Zarić M, Crista F, Hotea I, Berbecca A, Imbrea I, Imbrea I, Radulov I. Agricultural Soil Pollution with Pesticides. in 40th DUBAI International Conference on “Chemical, Biological, Environment & Natural Resources” (CBENR-22), November 21-23 2022, Dubai, UAE. 2022;:28-28.
https://hdl.handle.net/21.15107/rcub_cer_7440 .

Zarić, Milana, Crista, F., Hotea, I., Berbecca, A., Imbrea, I., Imbrea, I., Radulov, I., "Agricultural Soil Pollution with Pesticides" in 40th DUBAI International Conference on “Chemical, Biological, Environment & Natural Resources” (CBENR-22), November 21-23 2022, Dubai, UAE (2022):28-28,
https://hdl.handle.net/21.15107/rcub_cer_7440 .

TY  - CONF
AU  - Zarić, Milana
AU  - Radulov, I.
AU  - Honea, I.
AU  - Lato, A.
AU  - Berbecca, A.
AU  - Crista, F.
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7441
AB  - The aim of this study was to monitor the presence of more of almost 280 pesticides in the topsoil level of agricultural soil in Serbia.
PB  - Pilares D'Elegancia, Lda
C3  - International conference Proceedings - 37th International Conference on “Chemical, Agriculture, Biological & Environment Sciences“, LCABE-22, December 12-14 2022, Lisbon, Portugal
T1  - Pesticides in Topsoil Level of Agricultural Soil
SP  - 30
EP  - 30
UR  - https://hdl.handle.net/21.15107/rcub_cer_7441
ER  - 

@conference{
author = "Zarić, Milana and Radulov, I. and Honea, I. and Lato, A. and Berbecca, A. and Crista, F.",
year = "2022",
abstract = "The aim of this study was to monitor the presence of more of almost 280 pesticides in the topsoil level of agricultural soil in Serbia.",
publisher = "Pilares D'Elegancia, Lda",
journal = "International conference Proceedings - 37th International Conference on “Chemical, Agriculture, Biological & Environment Sciences“, LCABE-22, December 12-14 2022, Lisbon, Portugal",
title = "Pesticides in Topsoil Level of Agricultural Soil",
pages = "30-30",
url = "https://hdl.handle.net/21.15107/rcub_cer_7441"
}

Zarić, M., Radulov, I., Honea, I., Lato, A., Berbecca, A.,& Crista, F.. (2022). Pesticides in Topsoil Level of Agricultural Soil. in International conference Proceedings - 37th International Conference on “Chemical, Agriculture, Biological & Environment Sciences“, LCABE-22, December 12-14 2022, Lisbon, Portugal
Pilares D'Elegancia, Lda., 30-30.
https://hdl.handle.net/21.15107/rcub_cer_7441

Zarić M, Radulov I, Honea I, Lato A, Berbecca A, Crista F. Pesticides in Topsoil Level of Agricultural Soil. in International conference Proceedings - 37th International Conference on “Chemical, Agriculture, Biological & Environment Sciences“, LCABE-22, December 12-14 2022, Lisbon, Portugal. 2022;:30-30.
https://hdl.handle.net/21.15107/rcub_cer_7441 .

Zarić, Milana, Radulov, I., Honea, I., Lato, A., Berbecca, A., Crista, F., "Pesticides in Topsoil Level of Agricultural Soil" in International conference Proceedings - 37th International Conference on “Chemical, Agriculture, Biological & Environment Sciences“, LCABE-22, December 12-14 2022, Lisbon, Portugal (2022):30-30,
https://hdl.handle.net/21.15107/rcub_cer_7441 .

TY  - CONF
AU  - Zarić, Milana
AU  - Crista, F.
AU  - Hotea, I.
AU  - Zaric, Nenad
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7438
AB  - In this work we have monitored pesticides in soil samples collected in agricultural areas of South Banat district in Serbia and Timis County in Romania.
PB  - University of Ljubljana, Faculty of Health Sciences
C3  - Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December, 2022, Ljubljana, Slovenia
T1  - Monitoring of Pesticides in Soil from South Banat District in Serbia and Timis Country in Romania
SP  - 29
EP  - 29
UR  - https://hdl.handle.net/21.15107/rcub_cer_7438
ER  - 

@conference{
author = "Zarić, Milana and Crista, F. and Hotea, I. and Zaric, Nenad",
year = "2022",
abstract = "In this work we have monitored pesticides in soil samples collected in agricultural areas of South Banat district in Serbia and Timis County in Romania.",
publisher = "University of Ljubljana, Faculty of Health Sciences",
journal = "Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December, 2022, Ljubljana, Slovenia",
title = "Monitoring of Pesticides in Soil from South Banat District in Serbia and Timis Country in Romania",
pages = "29-29",
url = "https://hdl.handle.net/21.15107/rcub_cer_7438"
}

Zarić, M., Crista, F., Hotea, I.,& Zaric, N.. (2022). Monitoring of Pesticides in Soil from South Banat District in Serbia and Timis Country in Romania. in Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December, 2022, Ljubljana, Slovenia
University of Ljubljana, Faculty of Health Sciences., 29-29.
https://hdl.handle.net/21.15107/rcub_cer_7438

Zarić M, Crista F, Hotea I, Zaric N. Monitoring of Pesticides in Soil from South Banat District in Serbia and Timis Country in Romania. in Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December, 2022, Ljubljana, Slovenia. 2022;:29-29.
https://hdl.handle.net/21.15107/rcub_cer_7438 .

Zarić, Milana, Crista, F., Hotea, I., Zaric, Nenad, "Monitoring of Pesticides in Soil from South Banat District in Serbia and Timis Country in Romania" in Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December, 2022, Ljubljana, Slovenia (2022):29-29,
https://hdl.handle.net/21.15107/rcub_cer_7438 .

TY  - CONF
AU  - Zarić, Nenad
AU  - Stanisavljević, Ljubiša
AU  - Zarić, Milana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7437
AB  - The aim of this study was to monitor pesticides in water bodies in an agricultural district of South Banat in Vojvodina, Serbia.
PB  - University of Ljubljana, Faculty of Health Sciences
C3  - Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December,2022, Ljubljana, Slovenia
T1  - Monitoring of Pesticides in Water Bodies from the Agricultural District in Serbia
SP  - 70
EP  - 70
UR  - https://hdl.handle.net/21.15107/rcub_cer_7437
ER  - 

@conference{
author = "Zarić, Nenad and Stanisavljević, Ljubiša and Zarić, Milana",
year = "2022",
abstract = "The aim of this study was to monitor pesticides in water bodies in an agricultural district of South Banat in Vojvodina, Serbia.",
publisher = "University of Ljubljana, Faculty of Health Sciences",
journal = "Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December,2022, Ljubljana, Slovenia",
title = "Monitoring of Pesticides in Water Bodies from the Agricultural District in Serbia",
pages = "70-70",
url = "https://hdl.handle.net/21.15107/rcub_cer_7437"
}

Zarić, N., Stanisavljević, L.,& Zarić, M.. (2022). Monitoring of Pesticides in Water Bodies from the Agricultural District in Serbia. in Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December,2022, Ljubljana, Slovenia
University of Ljubljana, Faculty of Health Sciences., 70-70.
https://hdl.handle.net/21.15107/rcub_cer_7437

Zarić N, Stanisavljević L, Zarić M. Monitoring of Pesticides in Water Bodies from the Agricultural District in Serbia. in Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December,2022, Ljubljana, Slovenia. 2022;:70-70.
https://hdl.handle.net/21.15107/rcub_cer_7437 .

Zarić, Nenad, Stanisavljević, Ljubiša, Zarić, Milana, "Monitoring of Pesticides in Water Bodies from the Agricultural District in Serbia" in Book of abstracts - 22nd European Meeting on Environmental Chemistry, EMEC22, 5 - 8 December,2022, Ljubljana, Slovenia (2022):70-70,
https://hdl.handle.net/21.15107/rcub_cer_7437 .

TY  - CONF
AU  - Zarić, Milana
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7436
AB  - In this work, we continue the study of the influence of double bonds on properties of mixtures in systems with double and single bonds.
PB  - Banja Luka : University in Banjaluka, Faculty of  Technology
C3  - Book of Abstracts - XIV Conference of  Chemists, Technologists and Environmentalists of Republic of Srpska, October 21-22, 2022, Banja Luka
T1  - Binary Mixtures of Substances with Double and Single Bonds
SP  - 47
EP  - 47
UR  - https://hdl.handle.net/21.15107/rcub_cer_7436
ER  - 

@conference{
author = "Zarić, Milana and Radović, Ivona and Kijevčanin, Mirjana",
year = "2022",
abstract = "In this work, we continue the study of the influence of double bonds on properties of mixtures in systems with double and single bonds.",
publisher = "Banja Luka : University in Banjaluka, Faculty of  Technology",
journal = "Book of Abstracts - XIV Conference of  Chemists, Technologists and Environmentalists of Republic of Srpska, October 21-22, 2022, Banja Luka",
title = "Binary Mixtures of Substances with Double and Single Bonds",
pages = "47-47",
url = "https://hdl.handle.net/21.15107/rcub_cer_7436"
}

Zarić, M., Radović, I.,& Kijevčanin, M.. (2022). Binary Mixtures of Substances with Double and Single Bonds. in Book of Abstracts - XIV Conference of  Chemists, Technologists and Environmentalists of Republic of Srpska, October 21-22, 2022, Banja Luka
Banja Luka : University in Banjaluka, Faculty of  Technology., 47-47.
https://hdl.handle.net/21.15107/rcub_cer_7436

Zarić M, Radović I, Kijevčanin M. Binary Mixtures of Substances with Double and Single Bonds. in Book of Abstracts - XIV Conference of  Chemists, Technologists and Environmentalists of Republic of Srpska, October 21-22, 2022, Banja Luka. 2022;:47-47.
https://hdl.handle.net/21.15107/rcub_cer_7436 .

Zarić, Milana, Radović, Ivona, Kijevčanin, Mirjana, "Binary Mixtures of Substances with Double and Single Bonds" in Book of Abstracts - XIV Conference of  Chemists, Technologists and Environmentalists of Republic of Srpska, October 21-22, 2022, Banja Luka (2022):47-47,
https://hdl.handle.net/21.15107/rcub_cer_7436 .

TY  - JOUR
AU  - Zarić, Milana
AU  - Vraneš, Milan B.
AU  - Bikić, Siniša M.
AU  - Tot, Aleksandar
AU  - Papović, Snežana
AU  - Borović, Teona Teodora
AU  - Kijevčanin, Mirjana
AU  - Radović, Ivona
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5414
AB  - Ethylene glycol is recognized as a heat transfer fluid. To improve its performance, caffeine is added to pure ethylene glycol. The experimental measurements of densities at pressures of up to 60 MPa and in the range of temperatures 293.15-413.15 K were performed. Obtained experimental results were fitted by the modified Tammann-Tait equation, and parameters were used to determine some valuable thermodynamic and mechanical properties, the isothermal compressibility, the isobaric thermal expansibility, the internal pressure, and the difference of specific heat capacity at constant pressure and constant volume. The same approach was applied to the equimolar mixture of ethylene glycol and water. The results confirm negligible changes in the investigated thermodynamic properties with the addition of caffeine into pure ethylene glycol and significantly smaller dependence on temperature compared to the mixture of ethylene glycol and water.
PB  - USA : American Chemical Society
T2  - Journal of Chemical & Engineering Data
T1  - Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures
VL  - 67
IS  - 11
SP  - 3351
EP  - 3363
DO  - 10.1021/acs.jced.2c00401
ER  - 

@article{
author = "Zarić, Milana and Vraneš, Milan B. and Bikić, Siniša M. and Tot, Aleksandar and Papović, Snežana and Borović, Teona Teodora and Kijevčanin, Mirjana and Radović, Ivona",
year = "2022",
abstract = "Ethylene glycol is recognized as a heat transfer fluid. To improve its performance, caffeine is added to pure ethylene glycol. The experimental measurements of densities at pressures of up to 60 MPa and in the range of temperatures 293.15-413.15 K were performed. Obtained experimental results were fitted by the modified Tammann-Tait equation, and parameters were used to determine some valuable thermodynamic and mechanical properties, the isothermal compressibility, the isobaric thermal expansibility, the internal pressure, and the difference of specific heat capacity at constant pressure and constant volume. The same approach was applied to the equimolar mixture of ethylene glycol and water. The results confirm negligible changes in the investigated thermodynamic properties with the addition of caffeine into pure ethylene glycol and significantly smaller dependence on temperature compared to the mixture of ethylene glycol and water.",
publisher = "USA : American Chemical Society",
journal = "Journal of Chemical & Engineering Data",
title = "Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures",
volume = "67",
number = "11",
pages = "3351-3363",
doi = "10.1021/acs.jced.2c00401"
}

Zarić, M., Vraneš, M. B., Bikić, S. M., Tot, A., Papović, S., Borović, T. T., Kijevčanin, M.,& Radović, I.. (2022). Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures. in Journal of Chemical & Engineering Data
USA : American Chemical Society., 67(11), 3351-3363.
https://doi.org/10.1021/acs.jced.2c00401

Zarić M, Vraneš MB, Bikić SM, Tot A, Papović S, Borović TT, Kijevčanin M, Radović I. Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures. in Journal of Chemical & Engineering Data. 2022;67(11):3351-3363.
doi:10.1021/acs.jced.2c00401 .

Zarić, Milana, Vraneš, Milan B., Bikić, Siniša M., Tot, Aleksandar, Papović, Snežana, Borović, Teona Teodora, Kijevčanin, Mirjana, Radović, Ivona, "Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures" in Journal of Chemical & Engineering Data, 67, no. 11 (2022):3351-3363,
https://doi.org/10.1021/acs.jced.2c00401 . .

TY  - CONF
AU  - Zarić, Milana
AU  - Ivanis, Gorica I.
AU  - Simic, Zoran V.
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7442
AB  - The harmful impact of the fossil fuels consumption on the environment and their limited reserves have prompted a reaction from both researchers and government officials. New environmental protection measures have been adopted and the research for renewable energy sources is strongly supported. The goal is to find the renewable, non-toxic, biodegradable, environment-friendly substitutes for fossil fuels and optimize their use. Within our research various green solvents and biofuels, such as biodiesels, terpenes, ionic liquids, and deep eutectic solvents have been studied. Biodiesels are widely known substitutes for fossil fuels; they can be applied in diesel engines, pure or mixed with a petro-diesel in various proportions, without corrections in engine design [1]. Terpenes found 
a promising role as an alternative fuel for aviation transport where fuel of high energy density is required due to small volume-limited fuel tanks [2]. Ionic liquids have shown a great potential in CO2 absorption from air or exhaust gas. These salts are very attractive for industrial purposes, because of their specific properties, changed based on selected combination of anion and cation [3]. Further, for more efficient energy production and consumption, investigation on improving the properties of the heat transfer fluid was performed, adding nanoparticles to ethylene glycol (EG) [4]. The data on thermophysical properties of various chemical compounds and their mixtures under different conditions of pressure and temperature are essential for various processes. For example, the fuel injection and combustion in diesel engines are performed at high pressures and temperatures and are greatly influenced by the fuel’s density and viscosity [1]. 
Densities of sunflower oil biodiesels and their mixtures with diesel fuel, a group of terpenes and ionic liquids, and EG with caffeine were measured at temperatures in the range (298.15–413.15) K and at pressures up to 60 MPa [1-4]. The experimental data were successfully correlated using the modified Tammann–Tait equation. That enabled the calculation of the derived properties, such as the isothermal compressibility, the isobaric thermal expansivity, the internal pressure and the difference between the specific heat capacity at constant pressure and at constant volume.
PB  - Germany : University of Rostock
C3  - Book of abstracts - 10th Rostocker International Conference: “Technical Thermodynamics: Thermophysical Properties and Energy Systems” THERMAM 2021, 09-10 September 2021, Rostock, Germany
T1  - Thermodynamic and thermophysical properties for green compounds at high pressures
SP  - 139
EP  - 139
UR  - https://hdl.handle.net/21.15107/rcub_cer_7442
ER  - 

@conference{
author = "Zarić, Milana and Ivanis, Gorica I. and Simic, Zoran V. and Radović, Ivona and Kijevčanin, Mirjana",
year = "2021",
abstract = "The harmful impact of the fossil fuels consumption on the environment and their limited reserves have prompted a reaction from both researchers and government officials. New environmental protection measures have been adopted and the research for renewable energy sources is strongly supported. The goal is to find the renewable, non-toxic, biodegradable, environment-friendly substitutes for fossil fuels and optimize their use. Within our research various green solvents and biofuels, such as biodiesels, terpenes, ionic liquids, and deep eutectic solvents have been studied. Biodiesels are widely known substitutes for fossil fuels; they can be applied in diesel engines, pure or mixed with a petro-diesel in various proportions, without corrections in engine design [1]. Terpenes found 
a promising role as an alternative fuel for aviation transport where fuel of high energy density is required due to small volume-limited fuel tanks [2]. Ionic liquids have shown a great potential in CO2 absorption from air or exhaust gas. These salts are very attractive for industrial purposes, because of their specific properties, changed based on selected combination of anion and cation [3]. Further, for more efficient energy production and consumption, investigation on improving the properties of the heat transfer fluid was performed, adding nanoparticles to ethylene glycol (EG) [4]. The data on thermophysical properties of various chemical compounds and their mixtures under different conditions of pressure and temperature are essential for various processes. For example, the fuel injection and combustion in diesel engines are performed at high pressures and temperatures and are greatly influenced by the fuel’s density and viscosity [1]. 
Densities of sunflower oil biodiesels and their mixtures with diesel fuel, a group of terpenes and ionic liquids, and EG with caffeine were measured at temperatures in the range (298.15–413.15) K and at pressures up to 60 MPa [1-4]. The experimental data were successfully correlated using the modified Tammann–Tait equation. That enabled the calculation of the derived properties, such as the isothermal compressibility, the isobaric thermal expansivity, the internal pressure and the difference between the specific heat capacity at constant pressure and at constant volume.",
publisher = "Germany : University of Rostock",
journal = "Book of abstracts - 10th Rostocker International Conference: “Technical Thermodynamics: Thermophysical Properties and Energy Systems” THERMAM 2021, 09-10 September 2021, Rostock, Germany",
title = "Thermodynamic and thermophysical properties for green compounds at high pressures",
pages = "139-139",
url = "https://hdl.handle.net/21.15107/rcub_cer_7442"
}

Zarić, M., Ivanis, G. I., Simic, Z. V., Radović, I.,& Kijevčanin, M.. (2021). Thermodynamic and thermophysical properties for green compounds at high pressures. in Book of abstracts - 10th Rostocker International Conference: “Technical Thermodynamics: Thermophysical Properties and Energy Systems” THERMAM 2021, 09-10 September 2021, Rostock, Germany
Germany : University of Rostock., 139-139.
https://hdl.handle.net/21.15107/rcub_cer_7442

Zarić M, Ivanis GI, Simic ZV, Radović I, Kijevčanin M. Thermodynamic and thermophysical properties for green compounds at high pressures. in Book of abstracts - 10th Rostocker International Conference: “Technical Thermodynamics: Thermophysical Properties and Energy Systems” THERMAM 2021, 09-10 September 2021, Rostock, Germany. 2021;:139-139.
https://hdl.handle.net/21.15107/rcub_cer_7442 .

Zarić, Milana, Ivanis, Gorica I., Simic, Zoran V., Radović, Ivona, Kijevčanin, Mirjana, "Thermodynamic and thermophysical properties for green compounds at high pressures" in Book of abstracts - 10th Rostocker International Conference: “Technical Thermodynamics: Thermophysical Properties and Energy Systems” THERMAM 2021, 09-10 September 2021, Rostock, Germany (2021):139-139,
https://hdl.handle.net/21.15107/rcub_cer_7442 .

TY  - CONF
AU  - Crista, F.
AU  - Zaric, Nenad
AU  - Hotea, I.
AU  - Berbecca, A.
AU  - Imbrea, L.
AU  - Crista, L.
AU  - Gaspar, S.
AU  - Banatean-Dunea, I.
AU  - Nita, L.
AU  - Batrana, S.
AU  - Stanisavljević, Ljubiša
AU  - Zarić, Milana
AU  - Radulov, I.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7439
AB  - The purpose of this study was to determine the content of metals and some elements with toxic potential in surface flowing water, in order to identify the best methods to prevent degradation of their quality.
PB  - Belgrade : Serbian Chemical Society
C3  - 21st European Meeting on Environmental Chemistry, EMEC21 - Book of Abstracts, November 30 – December 3, 2021 Novi Sad, Serbia
T1  - Metals Pollution of Surface Flowing Water in Timiș County, Romania
SP  - 133
EP  - 133
UR  - https://hdl.handle.net/21.15107/rcub_cer_7439
ER  - 

@conference{
author = "Crista, F. and Zaric, Nenad and Hotea, I. and Berbecca, A. and Imbrea, L. and Crista, L. and Gaspar, S. and Banatean-Dunea, I. and Nita, L. and Batrana, S. and Stanisavljević, Ljubiša and Zarić, Milana and Radulov, I.",
year = "2021",
abstract = "The purpose of this study was to determine the content of metals and some elements with toxic potential in surface flowing water, in order to identify the best methods to prevent degradation of their quality.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "21st European Meeting on Environmental Chemistry, EMEC21 - Book of Abstracts, November 30 – December 3, 2021 Novi Sad, Serbia",
title = "Metals Pollution of Surface Flowing Water in Timiș County, Romania",
pages = "133-133",
url = "https://hdl.handle.net/21.15107/rcub_cer_7439"
}

Crista, F., Zaric, N., Hotea, I., Berbecca, A., Imbrea, L., Crista, L., Gaspar, S., Banatean-Dunea, I., Nita, L., Batrana, S., Stanisavljević, L., Zarić, M.,& Radulov, I.. (2021). Metals Pollution of Surface Flowing Water in Timiș County, Romania. in 21st European Meeting on Environmental Chemistry, EMEC21 - Book of Abstracts, November 30 – December 3, 2021 Novi Sad, Serbia
Belgrade : Serbian Chemical Society., 133-133.
https://hdl.handle.net/21.15107/rcub_cer_7439

Crista F, Zaric N, Hotea I, Berbecca A, Imbrea L, Crista L, Gaspar S, Banatean-Dunea I, Nita L, Batrana S, Stanisavljević L, Zarić M, Radulov I. Metals Pollution of Surface Flowing Water in Timiș County, Romania. in 21st European Meeting on Environmental Chemistry, EMEC21 - Book of Abstracts, November 30 – December 3, 2021 Novi Sad, Serbia. 2021;:133-133.
https://hdl.handle.net/21.15107/rcub_cer_7439 .

Crista, F., Zaric, Nenad, Hotea, I., Berbecca, A., Imbrea, L., Crista, L., Gaspar, S., Banatean-Dunea, I., Nita, L., Batrana, S., Stanisavljević, Ljubiša, Zarić, Milana, Radulov, I., "Metals Pollution of Surface Flowing Water in Timiș County, Romania" in 21st European Meeting on Environmental Chemistry, EMEC21 - Book of Abstracts, November 30 – December 3, 2021 Novi Sad, Serbia (2021):133-133,
https://hdl.handle.net/21.15107/rcub_cer_7439 .

TY  - CONF
AU  - Radović, Ivona
AU  - Bikic, Sinisa M.
AU  - Zarić, Milana
AU  - Kijevčanin, Mirjana
AU  - Tot, Aleksandar
AU  - Popovic, Snezana
AU  - Borović, Teona Teodora
AU  - Vraneš, Milan B.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7444
AB  - Ethylene glycol is a well-known fluid that is recognized for its application in heat transfer processes [1]. In order to improve its characteristics and performances, adding other particles in the mixture of ethylene glycol and water, such as nanoparticles has been investigated [2]. A substance widespread available, easily distributed and cost effective is caffeine. Caffeine can be recycled from coffee or tea waste, which makes it profitable and sustainable. Literature data state that caffeine addition to ethylene glycol improves its properties as a heat transfer fluid, primarily due to higher heat capacities, higher system fluidity and lower viscosity [3]. This work investigates different thermodynamic properties of caffeine + ethylene glycol mixtures. Densities have been measured at high pressures from 
(0,1 – 60) MP and at the temperature range (20 - 140) ºC. All measurements were performed using an Anton Paar DMA 5000 HP density meter with a vibrating tube [4]. The obtained results were fitted by the modified Tammann-Tait equation and parameters were used to determine the isothermal compressibility coefficient, the coefficient of isobaric expansion, the internal pressure and the difference of specific heat capacity at constant pressure and constant volume. Experimental values and calculated thermodynamic parameters reported in this work will help in concluding whether the caffeine + ethylene glycol mixtures are good candidates as heat transfer fluids.
PB  - IFP Energies nouvelles
C3  - 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event
T1  - High pressure densities of ethylene glycol and caffeine mixtures
SP  - 261
EP  - 261
UR  - https://hdl.handle.net/21.15107/rcub_cer_7444
ER  - 

@conference{
author = "Radović, Ivona and Bikic, Sinisa M. and Zarić, Milana and Kijevčanin, Mirjana and Tot, Aleksandar and Popovic, Snezana and Borović, Teona Teodora and Vraneš, Milan B.",
year = "2021",
abstract = "Ethylene glycol is a well-known fluid that is recognized for its application in heat transfer processes [1]. In order to improve its characteristics and performances, adding other particles in the mixture of ethylene glycol and water, such as nanoparticles has been investigated [2]. A substance widespread available, easily distributed and cost effective is caffeine. Caffeine can be recycled from coffee or tea waste, which makes it profitable and sustainable. Literature data state that caffeine addition to ethylene glycol improves its properties as a heat transfer fluid, primarily due to higher heat capacities, higher system fluidity and lower viscosity [3]. This work investigates different thermodynamic properties of caffeine + ethylene glycol mixtures. Densities have been measured at high pressures from 
(0,1 – 60) MP and at the temperature range (20 - 140) ºC. All measurements were performed using an Anton Paar DMA 5000 HP density meter with a vibrating tube [4]. The obtained results were fitted by the modified Tammann-Tait equation and parameters were used to determine the isothermal compressibility coefficient, the coefficient of isobaric expansion, the internal pressure and the difference of specific heat capacity at constant pressure and constant volume. Experimental values and calculated thermodynamic parameters reported in this work will help in concluding whether the caffeine + ethylene glycol mixtures are good candidates as heat transfer fluids.",
publisher = "IFP Energies nouvelles",
journal = "31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event",
title = "High pressure densities of ethylene glycol and caffeine mixtures",
pages = "261-261",
url = "https://hdl.handle.net/21.15107/rcub_cer_7444"
}

Radović, I., Bikic, S. M., Zarić, M., Kijevčanin, M., Tot, A., Popovic, S., Borović, T. T.,& Vraneš, M. B.. (2021). High pressure densities of ethylene glycol and caffeine mixtures. in 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event
IFP Energies nouvelles., 261-261.
https://hdl.handle.net/21.15107/rcub_cer_7444

Radović I, Bikic SM, Zarić M, Kijevčanin M, Tot A, Popovic S, Borović TT, Vraneš MB. High pressure densities of ethylene glycol and caffeine mixtures. in 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event. 2021;:261-261.
https://hdl.handle.net/21.15107/rcub_cer_7444 .

Radović, Ivona, Bikic, Sinisa M., Zarić, Milana, Kijevčanin, Mirjana, Tot, Aleksandar, Popovic, Snezana, Borović, Teona Teodora, Vraneš, Milan B., "High pressure densities of ethylene glycol and caffeine mixtures" in 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event (2021):261-261,
https://hdl.handle.net/21.15107/rcub_cer_7444 .

TY  - CONF
AU  - Zarić, Milana
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7443
AB  - Insight in different types of mixtures’ behavior (such as volumetric and transport 
properties, and related excess properties) has high importance [1]. These properties depend on the intermolecular interactions between molecules in liquid phase. The theoretical aspect can quantitatively and accurately model the non-covalent interactions using the quantum mechanical methods. In theoretical modeling of interaction energies, a benchmark study of quantum mechanical methods is an essential step [2]. So far, we have studied the interactions of double and single bonds and interactions between two double or two single 
bonds on a model system of 2-butene and n-butane molecules [3]. The results provide the insights of interactions at molecular level, offering an understanding of experimental measured properties of substances and mixtures with double bonds.
The aim of this work is to investigate experimental volumetric and transport properties and their deviations from ideal mixtures and use the computational modeling for analyzing the same effects on deviations at molecular level for the mixtures containing alcohols and hydrocarbons. The combination of experimental measurement and computational modeling is the future in predicting chemical processes in systems and mixtures, providing better and more complete information on properties and chemical processes.
PB  - IFP Energies nouvelles
C3  - 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event
T1  - Experimental measurements of thermophysical properties and theoretical quantum chemical calculations of alcohol and hydrocarbon binary systems
SP  - 262
EP  - 262
UR  - https://hdl.handle.net/21.15107/rcub_cer_7443
ER  - 

@conference{
author = "Zarić, Milana and Radović, Ivona and Kijevčanin, Mirjana",
year = "2021",
abstract = "Insight in different types of mixtures’ behavior (such as volumetric and transport 
properties, and related excess properties) has high importance [1]. These properties depend on the intermolecular interactions between molecules in liquid phase. The theoretical aspect can quantitatively and accurately model the non-covalent interactions using the quantum mechanical methods. In theoretical modeling of interaction energies, a benchmark study of quantum mechanical methods is an essential step [2]. So far, we have studied the interactions of double and single bonds and interactions between two double or two single 
bonds on a model system of 2-butene and n-butane molecules [3]. The results provide the insights of interactions at molecular level, offering an understanding of experimental measured properties of substances and mixtures with double bonds.
The aim of this work is to investigate experimental volumetric and transport properties and their deviations from ideal mixtures and use the computational modeling for analyzing the same effects on deviations at molecular level for the mixtures containing alcohols and hydrocarbons. The combination of experimental measurement and computational modeling is the future in predicting chemical processes in systems and mixtures, providing better and more complete information on properties and chemical processes.",
publisher = "IFP Energies nouvelles",
journal = "31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event",
title = "Experimental measurements of thermophysical properties and theoretical quantum chemical calculations of alcohol and hydrocarbon binary systems",
pages = "262-262",
url = "https://hdl.handle.net/21.15107/rcub_cer_7443"
}

Zarić, M., Radović, I.,& Kijevčanin, M.. (2021). Experimental measurements of thermophysical properties and theoretical quantum chemical calculations of alcohol and hydrocarbon binary systems. in 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event
IFP Energies nouvelles., 262-262.
https://hdl.handle.net/21.15107/rcub_cer_7443

Zarić M, Radović I, Kijevčanin M. Experimental measurements of thermophysical properties and theoretical quantum chemical calculations of alcohol and hydrocarbon binary systems. in 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event. 2021;:262-262.
https://hdl.handle.net/21.15107/rcub_cer_7443 .

Zarić, Milana, Radović, Ivona, Kijevčanin, Mirjana, "Experimental measurements of thermophysical properties and theoretical quantum chemical calculations of alcohol and hydrocarbon binary systems" in 31st European Symposium on Applied Thermodynamics, Abstract Book, 5-9 July 2021, France, Virtual event (2021):262-262,
https://hdl.handle.net/21.15107/rcub_cer_7443 .

TY  - CONF
AU  - Grozdanić, Nikola
AU  - Zarić, Milana
AU  - Krupez, Bojana
AU  - Kijevčanin, Mirjana
AU  - Radović, Ivona
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7246
AB  - U cilju proučavanja termodinamičkih svojstava binarne smeše limonen + hloroform eksperimentalno su određene gustine (ρ), viskoznosti (η) i indeksi refrakcije (nD) za ovu smešu. Eksperimentalna merenja su rađena u opsegu temperatura od 288,15 do 323,15 K na atmosferskom pritisku, za ceo opseg udela. Na osnovu eksperimentalno dobijenih rezultata izračunate su vrednosti 
dopunske molarne zapremine VE, vrednosti promene viskoznosti ∆η i vrednosti promene indeksa refrakcije ∆nD. Za izvedene vrednosti rezultati su dobijeni fitovanjem Redlich-Kister polinomskom jednačinom. Na osnovu ovih rezultata izvedeni su zaključci o međumolekulskim interakcijama u limonen + hloroform binarnom sistemu. Vrednosti dopunske molarne zapremine, kao i vrednosti promene viskoznosti i indeksa refrakcije pokazuju pozitivno odstupanje u celom opsegu molskih udela. Povećanje dopunske molarne zapremine pokazuje da je pakovanje molekula u smeši manje efikasno nego u čistim komponentama.
AB  - In order to study the thermodynamic properties of the binary mixture limonene + chloroform, the densities (ρ), viscosities (η) and refractive indices (nD) for this mixture were experimentally determined. Experimental measurements were performed in the temperature range from 288.15 K to 323.15 K at atmospheric pressure, for the entire range of composition. Based on the experimental results, the values of excess molar volume VE, the viscosity deviation ∆η and the refractive index deviation ∆nD were calculated. Additionally, the excess molar volume and viscosity and refractive indecies deviations were fitted with the Redlich-Kister polynomial equation. Based on these results, conclusions can be made on intermolecular interactions in the limonene + chloroform 
binary system. Values of excess molar volume, viscosity and refractive index deviations have shown a postive non-ideal behavior in the entire composition range. An increase in the values of exces molar volume indicates that the packaging of the molecules in the mixture is less efficient than in the pure components.
PB  - Belgrade : Serbian Chemical Society
C3  - Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia
T1  - Termodinamička svojstva i modelovanje međumolekulske interakcije  dvokomponentne smeše limonena i hloroforma
T1  - Thermodynamic properties and modeling intermolecular interaction of binary  mixture of limonene and chloroform
SP  - 115
EP  - 120
UR  - https://hdl.handle.net/21.15107/rcub_cer_7246
ER  - 

@conference{
author = "Grozdanić, Nikola and Zarić, Milana and Krupez, Bojana and Kijevčanin, Mirjana and Radović, Ivona",
year = "2021",
abstract = "U cilju proučavanja termodinamičkih svojstava binarne smeše limonen + hloroform eksperimentalno su određene gustine (ρ), viskoznosti (η) i indeksi refrakcije (nD) za ovu smešu. Eksperimentalna merenja su rađena u opsegu temperatura od 288,15 do 323,15 K na atmosferskom pritisku, za ceo opseg udela. Na osnovu eksperimentalno dobijenih rezultata izračunate su vrednosti 
dopunske molarne zapremine VE, vrednosti promene viskoznosti ∆η i vrednosti promene indeksa refrakcije ∆nD. Za izvedene vrednosti rezultati su dobijeni fitovanjem Redlich-Kister polinomskom jednačinom. Na osnovu ovih rezultata izvedeni su zaključci o međumolekulskim interakcijama u limonen + hloroform binarnom sistemu. Vrednosti dopunske molarne zapremine, kao i vrednosti promene viskoznosti i indeksa refrakcije pokazuju pozitivno odstupanje u celom opsegu molskih udela. Povećanje dopunske molarne zapremine pokazuje da je pakovanje molekula u smeši manje efikasno nego u čistim komponentama., In order to study the thermodynamic properties of the binary mixture limonene + chloroform, the densities (ρ), viscosities (η) and refractive indices (nD) for this mixture were experimentally determined. Experimental measurements were performed in the temperature range from 288.15 K to 323.15 K at atmospheric pressure, for the entire range of composition. Based on the experimental results, the values of excess molar volume VE, the viscosity deviation ∆η and the refractive index deviation ∆nD were calculated. Additionally, the excess molar volume and viscosity and refractive indecies deviations were fitted with the Redlich-Kister polynomial equation. Based on these results, conclusions can be made on intermolecular interactions in the limonene + chloroform 
binary system. Values of excess molar volume, viscosity and refractive index deviations have shown a postive non-ideal behavior in the entire composition range. An increase in the values of exces molar volume indicates that the packaging of the molecules in the mixture is less efficient than in the pure components.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia",
title = "Termodinamička svojstva i modelovanje međumolekulske interakcije  dvokomponentne smeše limonena i hloroforma, Thermodynamic properties and modeling intermolecular interaction of binary  mixture of limonene and chloroform",
pages = "115-120",
url = "https://hdl.handle.net/21.15107/rcub_cer_7246"
}

Grozdanić, N., Zarić, M., Krupez, B., Kijevčanin, M.,& Radović, I.. (2021). Termodinamička svojstva i modelovanje međumolekulske interakcije  dvokomponentne smeše limonena i hloroforma. in Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia
Belgrade : Serbian Chemical Society., 115-120.
https://hdl.handle.net/21.15107/rcub_cer_7246

Grozdanić N, Zarić M, Krupez B, Kijevčanin M, Radović I. Termodinamička svojstva i modelovanje međumolekulske interakcije  dvokomponentne smeše limonena i hloroforma. in Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia. 2021;:115-120.
https://hdl.handle.net/21.15107/rcub_cer_7246 .

Grozdanić, Nikola, Zarić, Milana, Krupez, Bojana, Kijevčanin, Mirjana, Radović, Ivona, "Termodinamička svojstva i modelovanje međumolekulske interakcije  dvokomponentne smeše limonena i hloroforma" in Kratki izvodi radova, Knjiga radova 57. Savetovanje Srpskog hemijskog društva, 18. i 19. juni 2021, Kragujevac / Book of abstracts, Proceedings - 57th Meeting of the Serbian Chemical Society, June 18-19, 2021, Kragujevac, Serbia (2021):115-120,
https://hdl.handle.net/21.15107/rcub_cer_7246 .

TY  - CONF
AU  - Božić, Katarina
AU  - Košević, Milica
AU  - Zarić, Milana
AU  - Panić, Vladimir
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6499
AB  - Owing to a wide range of application in kinetics (photocatalysis, electrocatalysis, etc.), it is of high importance to define in details corelation between structure and synthesis of TiO2 particles. The aim is to elucidate the kinetics of TiO2 solid phase formation by sol-gel approach as newly-structured suitable carrier of batteries/fuel cells electrocatalytic materials. TiO2 nanoparticles were synthesized from TiCl3 precursor under different conditions (concentration, pH) in an aqueous medium. Formation of a new solid phase was continuously monitored by a dynamic conductometric measurements induced by high frequency impedance sinusoidal voltage perturbations of a conductometric cell. The particle size distributions of the obtained TiO2 sols were characterized by the dynamic light scattering method, while the microstructure data were obtained by the scanning electron microscopy. The typical change of high frequency impedance during TiO2 synthesis is presented in Figure 1. It was found that the process proceeds through at least five phases (I–V, Figure 1, seen as high frequency impedance decrease) of different rates and durability, which depend on synthesis conditions.
PB  - Zagreb, Croatia : Croatian Society of Chemical Engineers
C3  - Book of abstracts - 10th ISE Satellite Student Regional Symposium on Electrochemistry, 2nd July, Zagreb, Croatia
T1  - A novel approach for the study of the kinetics of sol-gel synthesis of titanium dioxide nanoparticles as catalyst support
SP  - 5
EP  - 5
UR  - https://hdl.handle.net/21.15107/rcub_cer_6499
ER  - 

@conference{
author = "Božić, Katarina and Košević, Milica and Zarić, Milana and Panić, Vladimir",
year = "2021",
abstract = "Owing to a wide range of application in kinetics (photocatalysis, electrocatalysis, etc.), it is of high importance to define in details corelation between structure and synthesis of TiO2 particles. The aim is to elucidate the kinetics of TiO2 solid phase formation by sol-gel approach as newly-structured suitable carrier of batteries/fuel cells electrocatalytic materials. TiO2 nanoparticles were synthesized from TiCl3 precursor under different conditions (concentration, pH) in an aqueous medium. Formation of a new solid phase was continuously monitored by a dynamic conductometric measurements induced by high frequency impedance sinusoidal voltage perturbations of a conductometric cell. The particle size distributions of the obtained TiO2 sols were characterized by the dynamic light scattering method, while the microstructure data were obtained by the scanning electron microscopy. The typical change of high frequency impedance during TiO2 synthesis is presented in Figure 1. It was found that the process proceeds through at least five phases (I–V, Figure 1, seen as high frequency impedance decrease) of different rates and durability, which depend on synthesis conditions.",
publisher = "Zagreb, Croatia : Croatian Society of Chemical Engineers",
journal = "Book of abstracts - 10th ISE Satellite Student Regional Symposium on Electrochemistry, 2nd July, Zagreb, Croatia",
title = "A novel approach for the study of the kinetics of sol-gel synthesis of titanium dioxide nanoparticles as catalyst support",
pages = "5-5",
url = "https://hdl.handle.net/21.15107/rcub_cer_6499"
}

Božić, K., Košević, M., Zarić, M.,& Panić, V.. (2021). A novel approach for the study of the kinetics of sol-gel synthesis of titanium dioxide nanoparticles as catalyst support. in Book of abstracts - 10th ISE Satellite Student Regional Symposium on Electrochemistry, 2nd July, Zagreb, Croatia
Zagreb, Croatia : Croatian Society of Chemical Engineers., 5-5.
https://hdl.handle.net/21.15107/rcub_cer_6499

Božić K, Košević M, Zarić M, Panić V. A novel approach for the study of the kinetics of sol-gel synthesis of titanium dioxide nanoparticles as catalyst support. in Book of abstracts - 10th ISE Satellite Student Regional Symposium on Electrochemistry, 2nd July, Zagreb, Croatia. 2021;:5-5.
https://hdl.handle.net/21.15107/rcub_cer_6499 .

Božić, Katarina, Košević, Milica, Zarić, Milana, Panić, Vladimir, "A novel approach for the study of the kinetics of sol-gel synthesis of titanium dioxide nanoparticles as catalyst support" in Book of abstracts - 10th ISE Satellite Student Regional Symposium on Electrochemistry, 2nd July, Zagreb, Croatia (2021):5-5,
https://hdl.handle.net/21.15107/rcub_cer_6499 .

TY  - JOUR
AU  - Vraneš, Milan B.
AU  - Radović, Ivona
AU  - Bikić, Siniša M.
AU  - Tot, Aleksandar
AU  - Kijevčanin, Mirjana
AU  - Zarić, Milana
AU  - Borović, Teona Teodora
AU  - Papović, Snežana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4485
AB  - In this article, detailed physicochemical characterization of ethylene glycol and caffeine + ethylene glycol mixtures is performed based on density, viscosity and refractive indices measurements in temperature range from (288.15 to 343.15) K. The apparent molar volume (Vϕ), apparent molar volume at infinite dilution (Vϕo), Masson's experimental slope (Sv), limiting apparent molar expansibility, (Eϕo), viscosity B-coefficient, thermodynamical parameters of viscous flow and molar refractions (Rm) have been evaluated from experimental measurements and results are additionally proven by molecular dynamic simulations. The addition of caffeine reduces viscosity of ethylene glycol, while caffeine molecules have high tendency to form self-aggregates due to weak interactions with ethylene glycol. Compared to aqueous solution of caffeine, caffeine + ethylene glycol mixtures are characterized with significantly lower solvation number and with more pronounced caffeine self-aggregation.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence
VL  - 333
IS  - 0167-7322
IS  - 1873-3166
SP  - 115918
DO  - 10.1016/j.molliq.2021.115918
ER  - 

@article{
author = "Vraneš, Milan B. and Radović, Ivona and Bikić, Siniša M. and Tot, Aleksandar and Kijevčanin, Mirjana and Zarić, Milana and Borović, Teona Teodora and Papović, Snežana",
year = "2021",
abstract = "In this article, detailed physicochemical characterization of ethylene glycol and caffeine + ethylene glycol mixtures is performed based on density, viscosity and refractive indices measurements in temperature range from (288.15 to 343.15) K. The apparent molar volume (Vϕ), apparent molar volume at infinite dilution (Vϕo), Masson's experimental slope (Sv), limiting apparent molar expansibility, (Eϕo), viscosity B-coefficient, thermodynamical parameters of viscous flow and molar refractions (Rm) have been evaluated from experimental measurements and results are additionally proven by molecular dynamic simulations. The addition of caffeine reduces viscosity of ethylene glycol, while caffeine molecules have high tendency to form self-aggregates due to weak interactions with ethylene glycol. Compared to aqueous solution of caffeine, caffeine + ethylene glycol mixtures are characterized with significantly lower solvation number and with more pronounced caffeine self-aggregation.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence",
volume = "333",
number = "0167-7322, 1873-3166",
pages = "115918",
doi = "10.1016/j.molliq.2021.115918"
}

Vraneš, M. B., Radović, I., Bikić, S. M., Tot, A., Kijevčanin, M., Zarić, M., Borović, T. T.,& Papović, S.. (2021). Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence. in Journal of Molecular Liquids
Elsevier., 333(0167-7322), 115918.
https://doi.org/10.1016/j.molliq.2021.115918

Vraneš MB, Radović I, Bikić SM, Tot A, Kijevčanin M, Zarić M, Borović TT, Papović S. Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence. in Journal of Molecular Liquids. 2021;333(0167-7322):115918.
doi:10.1016/j.molliq.2021.115918 .

Vraneš, Milan B., Radović, Ivona, Bikić, Siniša M., Tot, Aleksandar, Kijevčanin, Mirjana, Zarić, Milana, Borović, Teona Teodora, Papović, Snežana, "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence" in Journal of Molecular Liquids, 333, no. 0167-7322 (2021):115918,
https://doi.org/10.1016/j.molliq.2021.115918 . .

TY  - DATA
AU  - Vraneš, Milan B.
AU  - Radović, Ivona
AU  - Bikić, Siniša M.
AU  - Tot, Aleksandar
AU  - Kijevčanin, Mirjana
AU  - Zarić, Milana
AU  - Borović, Teona Teodora
AU  - Papović, Snežana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4486
AB  - The tabular values and graphical representations of measured densities of caffeine+ethylene glycol solutions along with derived properties (thermal expansion coefficients, apparent and partial molar volumes and limiting molar expansibility) and used equations. The tabulated values of measured viscosities of solutions, the calculated thermodynamic parameters and the values of shear rate and shear stress.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence"
UR  - https://hdl.handle.net/21.15107/rcub_cer_4486
ER  - 

@misc{
author = "Vraneš, Milan B. and Radović, Ivona and Bikić, Siniša M. and Tot, Aleksandar and Kijevčanin, Mirjana and Zarić, Milana and Borović, Teona Teodora and Papović, Snežana",
year = "2021",
abstract = "The tabular values and graphical representations of measured densities of caffeine+ethylene glycol solutions along with derived properties (thermal expansion coefficients, apparent and partial molar volumes and limiting molar expansibility) and used equations. The tabulated values of measured viscosities of solutions, the calculated thermodynamic parameters and the values of shear rate and shear stress.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence"",
url = "https://hdl.handle.net/21.15107/rcub_cer_4486"
}

Vraneš, M. B., Radović, I., Bikić, S. M., Tot, A., Kijevčanin, M., Zarić, M., Borović, T. T.,& Papović, S.. (2021). Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence". in Journal of Molecular Liquids
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_4486

Vraneš MB, Radović I, Bikić SM, Tot A, Kijevčanin M, Zarić M, Borović TT, Papović S. Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence". in Journal of Molecular Liquids. 2021;.
https://hdl.handle.net/21.15107/rcub_cer_4486 .

Vraneš, Milan B., Radović, Ivona, Bikić, Siniša M., Tot, Aleksandar, Kijevčanin, Mirjana, Zarić, Milana, Borović, Teona Teodora, Papović, Snežana, "Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence"" in Journal of Molecular Liquids (2021),
https://hdl.handle.net/21.15107/rcub_cer_4486 .

TY  - JOUR
AU  - Košević, Milica
AU  - Zarić, Milana
AU  - Stopić, Srećko
AU  - Stevanović, Jasmina S.
AU  - Weirich, Thomas E.
AU  - Friedrich, Bernd
AU  - Panić, Vladimir
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4430
AB  - Pt/TiO2 composites were synthesized by single-step ultrasonic spray pyrolysis (USP) at different temperatures. In an in-situ method, Pt and TiO2 particles were generated from tetra-n-butyl orthotitanate and chloroplatinic acid, and hydrothermally-prepared TiO2 colloidal dispersion served as Pt support in an ex-situ USP approach. USP-synthesized Pt/TiO2 composites were generated in the form of a solid mixture, morphologically organized in nesting huge hollow and small solid spheres, or TiO2 core/Pt shell regular spheroids by in-situ or ex-situ method, respectively. This paper exclusively reports on characteristic mechanisms of the formation of novel two-component solid composites, which are intrinsic from the USP approach and controlled precursor composition. The generation of the two morphological components within the in-situ approach, the hollow spheres and all-solid spheres, was indicated to be caused by characteristic sol-gel/solid phase transition of TiO2 . Both the walls of the hollow spheres and the cores of all-solid ones consist of TiO2 matrix populated by 10 nm-sized Pt. On the other hand, spherical, uniformly-sized, Pt particles of a few nanometers in size created a shell uniformly deposited onto TiO2 spheres of ca. 150 nm size. Activities of the prepared samples in an oxygen reduction reaction and combined oxygen reduction and hydrogen evolution reactions were electrochemically tested. The ex-situ synthesized Pt/TiO2 was more active for oxygen reduction and combined oxygen reduction and hydrogen reactions in comparison to the in-situ Pt/TiO2 samples, due to better availability of Pt within a core/shell structure for the reactions.
PB  - MDPI
T2  - Metals
T1  - Structural and electrochemical properties of nesting and core/shell pt/tio2 spherical particles synthesized by ultrasonic spray pyrolysis
VL  - 10
IS  - 1
SP  - 11
DO  - 10.3390/met10010011
ER  - 

@article{
author = "Košević, Milica and Zarić, Milana and Stopić, Srećko and Stevanović, Jasmina S. and Weirich, Thomas E. and Friedrich, Bernd and Panić, Vladimir",
year = "2020",
abstract = "Pt/TiO2 composites were synthesized by single-step ultrasonic spray pyrolysis (USP) at different temperatures. In an in-situ method, Pt and TiO2 particles were generated from tetra-n-butyl orthotitanate and chloroplatinic acid, and hydrothermally-prepared TiO2 colloidal dispersion served as Pt support in an ex-situ USP approach. USP-synthesized Pt/TiO2 composites were generated in the form of a solid mixture, morphologically organized in nesting huge hollow and small solid spheres, or TiO2 core/Pt shell regular spheroids by in-situ or ex-situ method, respectively. This paper exclusively reports on characteristic mechanisms of the formation of novel two-component solid composites, which are intrinsic from the USP approach and controlled precursor composition. The generation of the two morphological components within the in-situ approach, the hollow spheres and all-solid spheres, was indicated to be caused by characteristic sol-gel/solid phase transition of TiO2 . Both the walls of the hollow spheres and the cores of all-solid ones consist of TiO2 matrix populated by 10 nm-sized Pt. On the other hand, spherical, uniformly-sized, Pt particles of a few nanometers in size created a shell uniformly deposited onto TiO2 spheres of ca. 150 nm size. Activities of the prepared samples in an oxygen reduction reaction and combined oxygen reduction and hydrogen evolution reactions were electrochemically tested. The ex-situ synthesized Pt/TiO2 was more active for oxygen reduction and combined oxygen reduction and hydrogen reactions in comparison to the in-situ Pt/TiO2 samples, due to better availability of Pt within a core/shell structure for the reactions.",
publisher = "MDPI",
journal = "Metals",
title = "Structural and electrochemical properties of nesting and core/shell pt/tio2 spherical particles synthesized by ultrasonic spray pyrolysis",
volume = "10",
number = "1",
pages = "11",
doi = "10.3390/met10010011"
}

Košević, M., Zarić, M., Stopić, S., Stevanović, J. S., Weirich, T. E., Friedrich, B.,& Panić, V.. (2020). Structural and electrochemical properties of nesting and core/shell pt/tio2 spherical particles synthesized by ultrasonic spray pyrolysis. in Metals
MDPI., 10(1), 11.
https://doi.org/10.3390/met10010011

Košević M, Zarić M, Stopić S, Stevanović JS, Weirich TE, Friedrich B, Panić V. Structural and electrochemical properties of nesting and core/shell pt/tio2 spherical particles synthesized by ultrasonic spray pyrolysis. in Metals. 2020;10(1):11.
doi:10.3390/met10010011 .

Košević, Milica, Zarić, Milana, Stopić, Srećko, Stevanović, Jasmina S., Weirich, Thomas E., Friedrich, Bernd, Panić, Vladimir, "Structural and electrochemical properties of nesting and core/shell pt/tio2 spherical particles synthesized by ultrasonic spray pyrolysis" in Metals, 10, no. 1 (2020):11,
https://doi.org/10.3390/met10010011 . .

TY  - JOUR
AU  - Zarić, Milana
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3435
AB  - Thermodynamic properties (density, viscosity, refractive index and speed of sound) of pure substances cis-3-hexen-1-ol, 1-hexanol and n-hexane and their binary systems cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane were measured. All measurements are reported in the range (288.15 to 318.15) K at seven temperatures and at atmospheric pressure. Excess molar volume (VE), viscosity deviation (Δη), refractive index deviation (ΔnD) and speed of sound deviation (Δu) were calculated based on the experimental data. Derivate properties were fitted using Redlich-Kister equation. Additionally, for analyzing the molecular interaction, the FT-IR spectroscopy and quantum chemical calculations were performed. The results show differences in viscosity deviation between cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane mixtures, indicating some specific role of double bonds in properties of the mixtures. The FT-IR spectra indicate change in double bond frequency between pure cis-3-hexen-1-ol and mixture of cis-3-hexen-1-ol + n-hexane, and quantum chemical calculations confirmed the possibility of double bond influence on the properties of the mixtures.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations
VL  - 303
SP  - 112486
DO  - 10.1016/j.molliq.2020.112486
ER  - 

@article{
author = "Zarić, Milana and Radović, Ivona and Kijevčanin, Mirjana",
year = "2020",
abstract = "Thermodynamic properties (density, viscosity, refractive index and speed of sound) of pure substances cis-3-hexen-1-ol, 1-hexanol and n-hexane and their binary systems cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane were measured. All measurements are reported in the range (288.15 to 318.15) K at seven temperatures and at atmospheric pressure. Excess molar volume (VE), viscosity deviation (Δη), refractive index deviation (ΔnD) and speed of sound deviation (Δu) were calculated based on the experimental data. Derivate properties were fitted using Redlich-Kister equation. Additionally, for analyzing the molecular interaction, the FT-IR spectroscopy and quantum chemical calculations were performed. The results show differences in viscosity deviation between cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane mixtures, indicating some specific role of double bonds in properties of the mixtures. The FT-IR spectra indicate change in double bond frequency between pure cis-3-hexen-1-ol and mixture of cis-3-hexen-1-ol + n-hexane, and quantum chemical calculations confirmed the possibility of double bond influence on the properties of the mixtures.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations",
volume = "303",
pages = "112486",
doi = "10.1016/j.molliq.2020.112486"
}

Zarić, M., Radović, I.,& Kijevčanin, M.. (2020). Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations. in Journal of Molecular Liquids
Elsevier., 303, 112486.
https://doi.org/10.1016/j.molliq.2020.112486

Zarić M, Radović I, Kijevčanin M. Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations. in Journal of Molecular Liquids. 2020;303:112486.
doi:10.1016/j.molliq.2020.112486 .

Zarić, Milana, Radović, Ivona, Kijevčanin, Mirjana, "Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations" in Journal of Molecular Liquids, 303 (2020):112486,
https://doi.org/10.1016/j.molliq.2020.112486 . .

TY  - CONF
AU  - Zarić, Milana
AU  - Imhof, Petra
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - https://www.shd.org.rs/index.php/abstracts-56
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3290
AB  - Experimental and theoretical methods were used to study two mixtures, 1-hexanol with n-hexane and cis-3-hexen-1-ol with n-hexane. The experimental technics were used to determine excess molar volume and viscosity deviations in the temperature range from 288.15K to 318.15K. The data of excess molar volume indicate similar behavior of the two alcohols, 1-hexanol and cis-3-hexen-1-ol in mixtures with n-hexane. The experimental data are in accordance with molecular dynamics simulation of these mixtures, showing similar number of hydrogen bonds in the two mixtures. The experimental data of viscosity deviations show difference of the two mixtures, where the deviation is significantly larger for cis-3-hexen-1-ol and n-hexane mixture, indicating stronger interactions within cis-3-hexen-1-ol and n-hexane binary mixture. These experimental data are in accordance with quantum chemical calculations on interactions energies. Namely, calculated interaction energies show that interaction between single and double bonds are stronger, than interactions between two single bonds.
AB  - Eksperimentalne i teorijske metode korišćene su za proučavanje dve smeše, 1-heksanola sa n-heksanom i cis-3-heksen-1-ola sa n-heksanom. Eksperimentalne tehnike su korišćene za određivanje dopunskih zapremina i promene viskoznosti za temperaturni opseg od 288.15K do 318.15K. Podaci o dopunskoj molarnoj zapremini ukazuje na slično ponašanje dva alkohola, 1-heksanola i cis-3-heksen-1-ola u smešama sa n-heksanom. Eksperimentalni podaci su u skladu sa simulacijom molekularne dinamike ovih smeša, pokazujući sličan broj vodoničnih veza u dve smeše. Eksperimentalni podaci o promeni viskoznosti pokazuju značajnu razliku između dve smeše, odstupanje je značajno veće za smešu cis-3-heksen-1-ol i n-heksan, što ukazuje na jaču interakciju u binarnoj smeši cis-3-heksen-1-ola i nheksana. Ovi eksperimentalni podaci su u skladu sa kvantno-hemijskim proračunima energija interakcija na molekulskom nivou. Naime, izračunate energije interakcije pokazuju da je interakcija između jednostrukih i dvostrukih veza jača, nego interakcija između dve jednostruke veze.
PB  - Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd
C3  - 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.
T1  - Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems
T1  - Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika
SP  - 32
UR  - https://hdl.handle.net/21.15107/rcub_cer_3290
ER  - 

@conference{
author = "Zarić, Milana and Imhof, Petra and Radović, Ivona and Kijevčanin, Mirjana",
year = "2019",
abstract = "Experimental and theoretical methods were used to study two mixtures, 1-hexanol with n-hexane and cis-3-hexen-1-ol with n-hexane. The experimental technics were used to determine excess molar volume and viscosity deviations in the temperature range from 288.15K to 318.15K. The data of excess molar volume indicate similar behavior of the two alcohols, 1-hexanol and cis-3-hexen-1-ol in mixtures with n-hexane. The experimental data are in accordance with molecular dynamics simulation of these mixtures, showing similar number of hydrogen bonds in the two mixtures. The experimental data of viscosity deviations show difference of the two mixtures, where the deviation is significantly larger for cis-3-hexen-1-ol and n-hexane mixture, indicating stronger interactions within cis-3-hexen-1-ol and n-hexane binary mixture. These experimental data are in accordance with quantum chemical calculations on interactions energies. Namely, calculated interaction energies show that interaction between single and double bonds are stronger, than interactions between two single bonds., Eksperimentalne i teorijske metode korišćene su za proučavanje dve smeše, 1-heksanola sa n-heksanom i cis-3-heksen-1-ola sa n-heksanom. Eksperimentalne tehnike su korišćene za određivanje dopunskih zapremina i promene viskoznosti za temperaturni opseg od 288.15K do 318.15K. Podaci o dopunskoj molarnoj zapremini ukazuje na slično ponašanje dva alkohola, 1-heksanola i cis-3-heksen-1-ola u smešama sa n-heksanom. Eksperimentalni podaci su u skladu sa simulacijom molekularne dinamike ovih smeša, pokazujući sličan broj vodoničnih veza u dve smeše. Eksperimentalni podaci o promeni viskoznosti pokazuju značajnu razliku između dve smeše, odstupanje je značajno veće za smešu cis-3-heksen-1-ol i n-heksan, što ukazuje na jaču interakciju u binarnoj smeši cis-3-heksen-1-ola i nheksana. Ovi eksperimentalni podaci su u skladu sa kvantno-hemijskim proračunima energija interakcija na molekulskom nivou. Naime, izračunate energije interakcije pokazuju da je interakcija između jednostrukih i dvostrukih veza jača, nego interakcija između dve jednostruke veze.",
publisher = "Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd",
journal = "56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.",
title = "Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems, Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika",
pages = "32",
url = "https://hdl.handle.net/21.15107/rcub_cer_3290"
}

Zarić, M., Imhof, P., Radović, I.,& Kijevčanin, M.. (2019). Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems. in 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.
Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd., 32.
https://hdl.handle.net/21.15107/rcub_cer_3290

Zarić M, Imhof P, Radović I, Kijevčanin M. Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems. in 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.. 2019;:32.
https://hdl.handle.net/21.15107/rcub_cer_3290 .

Zarić, Milana, Imhof, Petra, Radović, Ivona, Kijevčanin, Mirjana, "Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems" in 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019. (2019):32,
https://hdl.handle.net/21.15107/rcub_cer_3290 .

TY  - CONF
AU  - Zarić, Milana
AU  - Imhof, Petra
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - https://www.shd.org.rs/index.php/proceedings-56
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3291
AB  - Experimental and theoretical methods were used to study two mixtures, 1-hexanol with nhexane and cis-3-hexen-1-ol with n-hexane. The experimental technics were used to determine excess molar volume and viscosity deviations in the temperature range from 288.15K to 318.15K. The data of excess molar volume indicate similar behavior of the two alcohols, 1-hexanol and cis-3-hexen-1-ol in mixtures with n-hexane. The experimental data are in accordance with molecular dynamics simulation of these mixtures, showing similar number of hydrogen bonds in the two mixtures. The experimental data of viscosity deviations show difference of the two mixtures, where the deviation is significantly larger for cis-3- hexen-1-ol and n-hexane mixture, indicating stronger interactions within cis-3-hexen-1-ol and n-hexane binary mixture. These experimental data are in accordance with quantum chemical calculations on interactions energies. Namely, calculated interaction energies show that interaction between single and double bonds are stronger, than interactions between two single bonds.
AB  - Eksperimentalne i teorijske metode korišćene su za proučavanje dve smeše, 1-heksanola sa n-heksanom i cis-3-heksen-1-ola sa n-heksanom. Eksperimentalne tehnike su korišćene za određivanje dopunskih zapremina i promene viskoznosti za temperaturni opseg od 288.15K do 318.15K. Podaci o dopunskoj molarnoj zapremini ukazuje na slično ponašanje dva alkohola, 1-heksanola i cis-3-heksen-1-ola u smešama sa n-heksanom. Eksperimentalni podaci su u skladu sa simulacijom molekularne dinamike ovih smeša, pokazujući sličan broj vodoničnih veza u dve smeše. Eksperimentalni podaci o promeni viskoznosti pokazuju značajnu razliku između dve smeše, odstupanje je značajno veće za smešu cis-3-heksen-1- ol i n-heksan, što ukazuje na jaču interakciju u binarnoj smeši cis-3-heksen-1-ola i nheksana. Ovi eksperimentalni podaci su u skladu sa kvantno-hemijskim proračunima energija interakcija na molekulskom nivou. Naime, izračunate energije interakcije pokazuju da je interakcija između jednostrukih i dvostrukih veza jača, nego interakcija između dve jednostruke veze.
PB  - Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd
C3  - 56th Meeting of the Serbian chemical Society - Proceedings / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.
T1  - Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems
T1  - Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika
SP  - 38
UR  - https://hdl.handle.net/21.15107/rcub_cer_3291
ER  - 

@conference{
author = "Zarić, Milana and Imhof, Petra and Radović, Ivona and Kijevčanin, Mirjana",
year = "2019",
abstract = "Experimental and theoretical methods were used to study two mixtures, 1-hexanol with nhexane and cis-3-hexen-1-ol with n-hexane. The experimental technics were used to determine excess molar volume and viscosity deviations in the temperature range from 288.15K to 318.15K. The data of excess molar volume indicate similar behavior of the two alcohols, 1-hexanol and cis-3-hexen-1-ol in mixtures with n-hexane. The experimental data are in accordance with molecular dynamics simulation of these mixtures, showing similar number of hydrogen bonds in the two mixtures. The experimental data of viscosity deviations show difference of the two mixtures, where the deviation is significantly larger for cis-3- hexen-1-ol and n-hexane mixture, indicating stronger interactions within cis-3-hexen-1-ol and n-hexane binary mixture. These experimental data are in accordance with quantum chemical calculations on interactions energies. Namely, calculated interaction energies show that interaction between single and double bonds are stronger, than interactions between two single bonds., Eksperimentalne i teorijske metode korišćene su za proučavanje dve smeše, 1-heksanola sa n-heksanom i cis-3-heksen-1-ola sa n-heksanom. Eksperimentalne tehnike su korišćene za određivanje dopunskih zapremina i promene viskoznosti za temperaturni opseg od 288.15K do 318.15K. Podaci o dopunskoj molarnoj zapremini ukazuje na slično ponašanje dva alkohola, 1-heksanola i cis-3-heksen-1-ola u smešama sa n-heksanom. Eksperimentalni podaci su u skladu sa simulacijom molekularne dinamike ovih smeša, pokazujući sličan broj vodoničnih veza u dve smeše. Eksperimentalni podaci o promeni viskoznosti pokazuju značajnu razliku između dve smeše, odstupanje je značajno veće za smešu cis-3-heksen-1- ol i n-heksan, što ukazuje na jaču interakciju u binarnoj smeši cis-3-heksen-1-ola i nheksana. Ovi eksperimentalni podaci su u skladu sa kvantno-hemijskim proračunima energija interakcija na molekulskom nivou. Naime, izračunate energije interakcije pokazuju da je interakcija između jednostrukih i dvostrukih veza jača, nego interakcija između dve jednostruke veze.",
publisher = "Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd",
journal = "56th Meeting of the Serbian chemical Society - Proceedings / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.",
title = "Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems, Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika",
pages = "38",
url = "https://hdl.handle.net/21.15107/rcub_cer_3291"
}

Zarić, M., Imhof, P., Radović, I.,& Kijevčanin, M.. (2019). Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems. in 56th Meeting of the Serbian chemical Society - Proceedings / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.
Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd., 38.
https://hdl.handle.net/21.15107/rcub_cer_3291

Zarić M, Imhof P, Radović I, Kijevčanin M. Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems. in 56th Meeting of the Serbian chemical Society - Proceedings / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.. 2019;:38.
https://hdl.handle.net/21.15107/rcub_cer_3291 .

Zarić, Milana, Imhof, Petra, Radović, Ivona, Kijevčanin, Mirjana, "Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems" in 56th Meeting of the Serbian chemical Society - Proceedings / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019. (2019):38,
https://hdl.handle.net/21.15107/rcub_cer_3291 .

TY  - THES
AU  - Zarić, Milana
PY  - 2018
UR  - http://eteze.bg.ac.rs/application/showtheses?thesesId=6239
UR  - https://fedorabg.bg.ac.rs/fedora/get/o:18846/bdef:Content/download
UR  - http://vbs.rs/scripts/cobiss?command=DISPLAY&base=70036&RID=50656271
UR  - http://nardus.mpn.gov.rs/123456789/10225
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2592
AB  - Poznavanje termodinamičkih svojstava tečnih supstanci i njihovih smešaznačajno je za optimizaciju industrijskih procesa i za projektovanje industrijskihpostrojenja. Cilj ove doktorske disertacije je upoređivanje svojstava zasićenih inezasićenih organskih jedinjenja, njihovih termodinamičkih karakteristika,međumolekulskih interakcija i ponašanja u smešama. Ispitivani su zasićeni i nezasićenialkoholi i njihove smeše sa alkanima, jer ova jedinjenja su veoma značajna u industriji,naročito u naftnoj industriji, industriji polimera i prehrambenoj industriji.Eksperimentalno su izmerena termodinamička svojstava zasićenih i nezasićenihalkohola i njihovih smeša sa alkanima i na osnovu izmerenih vrednosti određene sudopunske veličine pri mešanju tečnosti. Urađena je FT-IR analiza ovih sistema naosnovu koje su dobijeni podaci o intermolekulskim interakcijama, a kvantnomehaničkim metodama su modelovane interakcije u proučavanim čistim tečnostima injihovim smešama.Podaci dobijeni na osnovu eksperimentalnih merenja pokazuju mnoge sličnostismeša nezasićenih i zasićenih alkohola, ali ukazuju i na značajne razlike. Najznačajnijarazlika između dva proučavana sistema je uočena u vrednostima promene viskoznosti.Promena viskoznosti je značajno veća za smešu zasićenih jedinjenja, dok manjapromena viskoznosti u smeši nezasićenog alkohola i alkana ukazuje na veće trenje, štose može objasniti interakcijama dvostruke veze ili možda i specifičnom konformacijomovog alkohola prouzrokovanom prisustvom dvostruke veze. Poređenje FT-IR spektaračistog nezasićenog alkohola i smeše sa alkanom ukazuju na promenu u interakcijamadvostruke veze alkohola.Rezultati veoma pouzdanog kvantno mehaničkog modelovanja interakcija umodel sistemima sa nezasićenim i zasićenim molekulima pokazuju da su interakcijeizmeđu molekula sa jednostrukom i dvostrukom vezom jače od interakcija između dvamolekula sa jednostrukim vezama i dva molekula sa dvostrukim vezama. Ovi rezultatisu u skladu sa eksperimentalno opaženim većim trenjem u smeši nezasićenog alkohola ialkana. Modelovanje FT-IR spektara pokazuje da interakcija između dvostruke veze ialkoholne –OH grupe utiče na ponašanje nezasićenog alkohola u smešama.Eksperimentalni rezultati u ovoj doktorskoj disertaciji ukazuju na razlike uponašanju smeša zasićenih i nezasićenih alkohola, dok rezultati modelovanja interakcijamogu da objasne uticaj dvostrukih veza na ponašanje smeša.
AB  - Data on the thermodynamic properties of liquid substances and their mixtures isimportant for optimizing industrial processes and design of industrial plants. The goal ofthis doctoral dissertation is to compare the properties of saturated and unsaturatedorganic compounds, their thermodynamic characteristics, intermolecular interactionsand behavior in mixtures. Saturated and unsaturated alcohols and their mixtures withalkanes were studied, since these compounds are very important in the industry,especially in the petrochemical industry, the polymer industry and the food industry.The thermodynamic properties of saturated and unsaturated alcohols and theirmixtures with alkanes were measured experimentally and, the results of measuredvalues were further used to determine excess and deviation properties in the mixtures.Based on the FT-IR analysis of these systems data on intermolecular interactions wereobtained, while using quantum mechanical methods interactions of pure liquids andtheir mixtures were modeled.The data obtained from experimental measurements indicate significantsimilarities of mixtures of unsaturated and saturated alcohols, however, also indicatesome important differences. The most significant difference between the two studiedsystems is observed in the values of viscosity deviation. The viscosity deviation issignificantly higher for the mixture of saturated compounds, while a slight change inviscosity of the mixture of unsaturated alcohol and alkane indicates higher friction. Thiscan be explained by interactions of the double bond or perhaps by the specificconformation of the alcohol caused by the presence of a double bond. Comparison ofthe FT-IR spectra of pure unsaturated alcohol and mixture with alkane indicates achange in the interaction of the double bond of alcohol.The results of a very reliable quantum mechanical modeling of interactions inmodel systems with unsaturated and saturated molecules show that the interactionsbetween molecules with single and double bonds are stronger than the interactionsbetween two molecules with single bond, and two molecules with double bonds. Theseresults are in accordance with experimentally observed higher friction in the mixture ofunsaturated alcohol and alkane. Modeling the FT-IR spectra indicates the effect of theinteraction between the double bond and the alcohol-OH group on the behavior ofunsaturated alcohols in the mixtures.Experimental results in this doctoral dissertation can point out the differences inthe behavior of mixtures of saturated and unsaturated alcohols, while the results ofinteraction modeling can explain the effect of double bond on behavior of mixtures.
PB  - Универзитет у Београду, Технолошко-металуршки факултет
T2  - Универзитет у Београду
T1  - Eksperimentalno određivanje volumetrijskih i stukturnih svojstava i modelovanje smeša nezasićenih organskih jedinjenja
UR  - https://hdl.handle.net/21.15107/rcub_nardus_10225
ER  - 

@phdthesis{
author = "Zarić, Milana",
year = "2018",
abstract = "Poznavanje termodinamičkih svojstava tečnih supstanci i njihovih smešaznačajno je za optimizaciju industrijskih procesa i za projektovanje industrijskihpostrojenja. Cilj ove doktorske disertacije je upoređivanje svojstava zasićenih inezasićenih organskih jedinjenja, njihovih termodinamičkih karakteristika,međumolekulskih interakcija i ponašanja u smešama. Ispitivani su zasićeni i nezasićenialkoholi i njihove smeše sa alkanima, jer ova jedinjenja su veoma značajna u industriji,naročito u naftnoj industriji, industriji polimera i prehrambenoj industriji.Eksperimentalno su izmerena termodinamička svojstava zasićenih i nezasićenihalkohola i njihovih smeša sa alkanima i na osnovu izmerenih vrednosti određene sudopunske veličine pri mešanju tečnosti. Urađena je FT-IR analiza ovih sistema naosnovu koje su dobijeni podaci o intermolekulskim interakcijama, a kvantnomehaničkim metodama su modelovane interakcije u proučavanim čistim tečnostima injihovim smešama.Podaci dobijeni na osnovu eksperimentalnih merenja pokazuju mnoge sličnostismeša nezasićenih i zasićenih alkohola, ali ukazuju i na značajne razlike. Najznačajnijarazlika između dva proučavana sistema je uočena u vrednostima promene viskoznosti.Promena viskoznosti je značajno veća za smešu zasićenih jedinjenja, dok manjapromena viskoznosti u smeši nezasićenog alkohola i alkana ukazuje na veće trenje, štose može objasniti interakcijama dvostruke veze ili možda i specifičnom konformacijomovog alkohola prouzrokovanom prisustvom dvostruke veze. Poređenje FT-IR spektaračistog nezasićenog alkohola i smeše sa alkanom ukazuju na promenu u interakcijamadvostruke veze alkohola.Rezultati veoma pouzdanog kvantno mehaničkog modelovanja interakcija umodel sistemima sa nezasićenim i zasićenim molekulima pokazuju da su interakcijeizmeđu molekula sa jednostrukom i dvostrukom vezom jače od interakcija između dvamolekula sa jednostrukim vezama i dva molekula sa dvostrukim vezama. Ovi rezultatisu u skladu sa eksperimentalno opaženim većim trenjem u smeši nezasićenog alkohola ialkana. Modelovanje FT-IR spektara pokazuje da interakcija između dvostruke veze ialkoholne –OH grupe utiče na ponašanje nezasićenog alkohola u smešama.Eksperimentalni rezultati u ovoj doktorskoj disertaciji ukazuju na razlike uponašanju smeša zasićenih i nezasićenih alkohola, dok rezultati modelovanja interakcijamogu da objasne uticaj dvostrukih veza na ponašanje smeša., Data on the thermodynamic properties of liquid substances and their mixtures isimportant for optimizing industrial processes and design of industrial plants. The goal ofthis doctoral dissertation is to compare the properties of saturated and unsaturatedorganic compounds, their thermodynamic characteristics, intermolecular interactionsand behavior in mixtures. Saturated and unsaturated alcohols and their mixtures withalkanes were studied, since these compounds are very important in the industry,especially in the petrochemical industry, the polymer industry and the food industry.The thermodynamic properties of saturated and unsaturated alcohols and theirmixtures with alkanes were measured experimentally and, the results of measuredvalues were further used to determine excess and deviation properties in the mixtures.Based on the FT-IR analysis of these systems data on intermolecular interactions wereobtained, while using quantum mechanical methods interactions of pure liquids andtheir mixtures were modeled.The data obtained from experimental measurements indicate significantsimilarities of mixtures of unsaturated and saturated alcohols, however, also indicatesome important differences. The most significant difference between the two studiedsystems is observed in the values of viscosity deviation. The viscosity deviation issignificantly higher for the mixture of saturated compounds, while a slight change inviscosity of the mixture of unsaturated alcohol and alkane indicates higher friction. Thiscan be explained by interactions of the double bond or perhaps by the specificconformation of the alcohol caused by the presence of a double bond. Comparison ofthe FT-IR spectra of pure unsaturated alcohol and mixture with alkane indicates achange in the interaction of the double bond of alcohol.The results of a very reliable quantum mechanical modeling of interactions inmodel systems with unsaturated and saturated molecules show that the interactionsbetween molecules with single and double bonds are stronger than the interactionsbetween two molecules with single bond, and two molecules with double bonds. Theseresults are in accordance with experimentally observed higher friction in the mixture ofunsaturated alcohol and alkane. Modeling the FT-IR spectra indicates the effect of theinteraction between the double bond and the alcohol-OH group on the behavior ofunsaturated alcohols in the mixtures.Experimental results in this doctoral dissertation can point out the differences inthe behavior of mixtures of saturated and unsaturated alcohols, while the results ofinteraction modeling can explain the effect of double bond on behavior of mixtures.",
publisher = "Универзитет у Београду, Технолошко-металуршки факултет",
journal = "Универзитет у Београду",
title = "Eksperimentalno određivanje volumetrijskih i stukturnih svojstava i modelovanje smeša nezasićenih organskih jedinjenja",
url = "https://hdl.handle.net/21.15107/rcub_nardus_10225"
}

Zarić, M.. (2018). Eksperimentalno određivanje volumetrijskih i stukturnih svojstava i modelovanje smeša nezasićenih organskih jedinjenja. in Универзитет у Београду
Универзитет у Београду, Технолошко-металуршки факултет..
https://hdl.handle.net/21.15107/rcub_nardus_10225

Zarić M. Eksperimentalno određivanje volumetrijskih i stukturnih svojstava i modelovanje smeša nezasićenih organskih jedinjenja. in Универзитет у Београду. 2018;.
https://hdl.handle.net/21.15107/rcub_nardus_10225 .

Zarić, Milana, "Eksperimentalno određivanje volumetrijskih i stukturnih svojstava i modelovanje smeša nezasićenih organskih jedinjenja" in Универзитет у Београду (2018),
https://hdl.handle.net/21.15107/rcub_nardus_10225 .

TY  - JOUR
AU  - Zarić, Milana
AU  - Stijepović, Mirko Z.
AU  - Linke, Patrick
AU  - Stajić-Trošić, Jasna
AU  - Bugarski, Branko
AU  - Kijevčanin, Mirjana
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2235
AB  - In order to reduce the usage of fossil fuels in industrial sectors by meeting the requirements of production processes, new heat integration and heat recovery approaches are developed. The goal of this study is to develop an approach to increase energy efficiency of an industrial zone by recovering and reusing waste heat via indirect heat integration. Industrial zones usually consist of multiple independent plants, where each plant is supplied by an independent utility system, as a decentralized system. In this study, a new approach is developed to target minimum energy requirements where an industrial zone would be supplied by a centralized utility system instead of decentralized utility system. The approach assumes that all process plants in an industrial zone are linked through the central utility system. This method is formulated as a linear programming problem (LP). Moreover, the proposed method may be used for decision making related to energy integration strategy of an industrial zone. In addition, the proposed method was applied on a case study. The results revealed that saving of fossil fuel could be achieved.
PB  - Association of the Chemical Engineers of Serbia
T2  - Chemical Industry and Chemical Engineering Quarterly / CICEQ
T1  - Targeting heat recovery and reuse in industrial zone
VL  - 23
IS  - 1
SP  - 73
EP  - 82
DO  - 10.2298/CICEQ150622009Z
ER  - 

@article{
author = "Zarić, Milana and Stijepović, Mirko Z. and Linke, Patrick and Stajić-Trošić, Jasna and Bugarski, Branko and Kijevčanin, Mirjana",
year = "2017",
abstract = "In order to reduce the usage of fossil fuels in industrial sectors by meeting the requirements of production processes, new heat integration and heat recovery approaches are developed. The goal of this study is to develop an approach to increase energy efficiency of an industrial zone by recovering and reusing waste heat via indirect heat integration. Industrial zones usually consist of multiple independent plants, where each plant is supplied by an independent utility system, as a decentralized system. In this study, a new approach is developed to target minimum energy requirements where an industrial zone would be supplied by a centralized utility system instead of decentralized utility system. The approach assumes that all process plants in an industrial zone are linked through the central utility system. This method is formulated as a linear programming problem (LP). Moreover, the proposed method may be used for decision making related to energy integration strategy of an industrial zone. In addition, the proposed method was applied on a case study. The results revealed that saving of fossil fuel could be achieved.",
publisher = "Association of the Chemical Engineers of Serbia",
journal = "Chemical Industry and Chemical Engineering Quarterly / CICEQ",
title = "Targeting heat recovery and reuse in industrial zone",
volume = "23",
number = "1",
pages = "73-82",
doi = "10.2298/CICEQ150622009Z"
}

Zarić, M., Stijepović, M. Z., Linke, P., Stajić-Trošić, J., Bugarski, B.,& Kijevčanin, M.. (2017). Targeting heat recovery and reuse in industrial zone. in Chemical Industry and Chemical Engineering Quarterly / CICEQ
Association of the Chemical Engineers of Serbia., 23(1), 73-82.
https://doi.org/10.2298/CICEQ150622009Z

Zarić M, Stijepović MZ, Linke P, Stajić-Trošić J, Bugarski B, Kijevčanin M. Targeting heat recovery and reuse in industrial zone. in Chemical Industry and Chemical Engineering Quarterly / CICEQ. 2017;23(1):73-82.
doi:10.2298/CICEQ150622009Z .

Zarić, Milana, Stijepović, Mirko Z., Linke, Patrick, Stajić-Trošić, Jasna, Bugarski, Branko, Kijevčanin, Mirjana, "Targeting heat recovery and reuse in industrial zone" in Chemical Industry and Chemical Engineering Quarterly / CICEQ, 23, no. 1 (2017):73-82,
https://doi.org/10.2298/CICEQ150622009Z . .

TY  - JOUR
AU  - Zarić, Milana
AU  - Bugarski, Branko
AU  - Kijevčanin, Mirjana
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2155
AB  - Benchmarking study on eighteen methods, including MP2, B2PLYP-D3, B2PLYP-D3BJ, coB97xD, M05-D3, M06-D3, M052X-D3, M061-1F-D3, PBEO-D3, PBEO-D3BJ, B3LYP-D3, B3LYP-D3DJ, TPSS-D3, TPSS-D3BJ, BP86-D3, BP86-D3BJ, BLYP-D3, BLYP-D3BJ and ten basis sets: cc-pVDZ, cc-pVTZ, aug-cc-pVDZ, cc-pVQZ, def2-SVP, def2-TZVP, def2-TZVPP, def2-QZVP, 6-311++G" and 6-31G", for each method, have been performed, calculating interaction energies in (1) unsaturated/unsaturated systems (2-butene dimers), (2) unsaturated/saturated system (between butane and 2-butene) and (3) saturated/saturated (butane dimers). The calculated interaction energies are compared with accurate CCSD(T)/CBS energies. The data show that most levels of theory have the highest errors for systems with butane dimers, and calculated interaction energies in these systems are overestimated. The best levels, overall for all systems, are BLYP-D3BJ/clef2-QZVP and BLYP-D3BJ/cc-pVQZ with similar root mean square deviation (RMSD) values of 0.056 kcal mo1-1 and 0.060 kcalmorl compared to CCSD(T) values. The best level for (1) 2-butene dimers is B3LYP-D3BJ/aug-cc-pVDZ; for (2) interactions between 2-butene and butane is BLYP-D3BJ/def2-SVP; while for (3) butane dimers is BLYP-D3BJ/def2-QZVP. The differences in calculated energies among several methods are not high, however, it is important that most of the DFT methods overestimate interactions in butane dimers.
PB  - Elsevier
T2  - Computational and Theoretical Chemistry
T1  - Best methods for calculating interaction energies in 2-butene and butane systems
VL  - 1117
SP  - 150
EP  - 161
DO  - 10.1016/j.comptc.2017.08.001
ER  - 

@article{
author = "Zarić, Milana and Bugarski, Branko and Kijevčanin, Mirjana",
year = "2017",
abstract = "Benchmarking study on eighteen methods, including MP2, B2PLYP-D3, B2PLYP-D3BJ, coB97xD, M05-D3, M06-D3, M052X-D3, M061-1F-D3, PBEO-D3, PBEO-D3BJ, B3LYP-D3, B3LYP-D3DJ, TPSS-D3, TPSS-D3BJ, BP86-D3, BP86-D3BJ, BLYP-D3, BLYP-D3BJ and ten basis sets: cc-pVDZ, cc-pVTZ, aug-cc-pVDZ, cc-pVQZ, def2-SVP, def2-TZVP, def2-TZVPP, def2-QZVP, 6-311++G" and 6-31G", for each method, have been performed, calculating interaction energies in (1) unsaturated/unsaturated systems (2-butene dimers), (2) unsaturated/saturated system (between butane and 2-butene) and (3) saturated/saturated (butane dimers). The calculated interaction energies are compared with accurate CCSD(T)/CBS energies. The data show that most levels of theory have the highest errors for systems with butane dimers, and calculated interaction energies in these systems are overestimated. The best levels, overall for all systems, are BLYP-D3BJ/clef2-QZVP and BLYP-D3BJ/cc-pVQZ with similar root mean square deviation (RMSD) values of 0.056 kcal mo1-1 and 0.060 kcalmorl compared to CCSD(T) values. The best level for (1) 2-butene dimers is B3LYP-D3BJ/aug-cc-pVDZ; for (2) interactions between 2-butene and butane is BLYP-D3BJ/def2-SVP; while for (3) butane dimers is BLYP-D3BJ/def2-QZVP. The differences in calculated energies among several methods are not high, however, it is important that most of the DFT methods overestimate interactions in butane dimers.",
publisher = "Elsevier",
journal = "Computational and Theoretical Chemistry",
title = "Best methods for calculating interaction energies in 2-butene and butane systems",
volume = "1117",
pages = "150-161",
doi = "10.1016/j.comptc.2017.08.001"
}

Zarić, M., Bugarski, B.,& Kijevčanin, M.. (2017). Best methods for calculating interaction energies in 2-butene and butane systems. in Computational and Theoretical Chemistry
Elsevier., 1117, 150-161.
https://doi.org/10.1016/j.comptc.2017.08.001

Zarić M, Bugarski B, Kijevčanin M. Best methods for calculating interaction energies in 2-butene and butane systems. in Computational and Theoretical Chemistry. 2017;1117:150-161.
doi:10.1016/j.comptc.2017.08.001 .

Zarić, Milana, Bugarski, Branko, Kijevčanin, Mirjana, "Best methods for calculating interaction energies in 2-butene and butane systems" in Computational and Theoretical Chemistry, 1117 (2017):150-161,
https://doi.org/10.1016/j.comptc.2017.08.001 . .