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  - 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  - 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  - 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 .