Exploring molecular interactions of binary mixture (dimethyl carbonate + benzyl benzoate)

Measurements and correlation

G. Jyothirmai, Sk Md Nayeem, Imran Khan, Ch Anjaneyulu

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

To explore the type of interaction and its behavior with temperature in the binary mixture (dimethyl carbonate + benzyl benzoate), the density (ρ) and speed of sound (u) are measured for the whole mole fraction range at various temperatures T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of computed excess molar volume (VmE) was examined and detailed analysis elucidated not only prevalence of strong molecular interactions between molecules in study but also its variation with temperature. Further, strong interactions are well supported by partial and their excess partial molar volume (V¯m,V¯mE,V¯mE,∞). Furthermore, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility (κsE), partial and their excess partial molar isentropic compressibility(K¯m, K¯mE), excess values of isobaric thermal expansion coefficient (αPE), isentropic compressibility (κsE), isothermal compressibility (kTE), intermolecular free length (LfE), acoustic impedance (ZE), surface tension (σSE), ultrasonic speed (uE) were evaluated and confirmed the conclusions made for VmE. By Redlich-Kister equation, coefficients with standard deviations are computed to excess parameters. VmE is correlated by Prigogine–Flory–Patterson (PFP) and Topology theories at 308.15 K. Extended Langmuir model is examined for influence of the bulk mole fraction on surface tension. At T = 308.15 K, different derivatives of thermodynamic potentials, densities through Soave-Redlich-Kwong (SRK)/Peng-Robinson (PR) cubic equation of states, excess chemical potential and theoretical speeds using semi-empirical equations are evaluated. Using Hartmann–Balizar and Ballou non-linear equations, cohesive energy (ΔA), van der Wall's constants (a, b), distance of closest approach (d) are estimated through Sehgal's equations at all temperatures.

Original languageEnglish
Pages (from-to)1183-1194
Number of pages12
JournalJournal of Molecular Liquids
Volume249
DOIs
Publication statusPublished - Jan 1 2018

Fingerprint

Molecular interactions
molecular interactions
Binary mixtures
Compressibility
binary mixtures
Carbonates
carbonates
compressibility
Density (specific gravity)
Surface tension
Temperature
Acoustic impedance
Chemical potential
interfacial tension
Acoustic wave velocity
Equations of state
Nonlinear equations
semiempirical equations
Atmospheric pressure
Thermal expansion

Keywords

  • Benzyl benzoate
  • Density
  • Dimethyl carbonate
  • Excess thermodynamic properties
  • Langmuir model
  • Prigogine–Flory–Patterson theory
  • Speed of sound

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Exploring molecular interactions of binary mixture (dimethyl carbonate + benzyl benzoate) : Measurements and correlation. / Jyothirmai, G.; Nayeem, Sk Md; Khan, Imran; Anjaneyulu, Ch.

In: Journal of Molecular Liquids, Vol. 249, 01.01.2018, p. 1183-1194.

Research output: Contribution to journalArticle

@article{df7f86667f974c5791a0e766d64f05fb,
title = "Exploring molecular interactions of binary mixture (dimethyl carbonate + benzyl benzoate): Measurements and correlation",
abstract = "To explore the type of interaction and its behavior with temperature in the binary mixture (dimethyl carbonate + benzyl benzoate), the density (ρ) and speed of sound (u) are measured for the whole mole fraction range at various temperatures T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of computed excess molar volume (VmE) was examined and detailed analysis elucidated not only prevalence of strong molecular interactions between molecules in study but also its variation with temperature. Further, strong interactions are well supported by partial and their excess partial molar volume (V¯m,V¯mE,V¯mE,∞). Furthermore, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility (κsE), partial and their excess partial molar isentropic compressibility(K¯m, K¯mE), excess values of isobaric thermal expansion coefficient (αPE), isentropic compressibility (κsE), isothermal compressibility (kTE), intermolecular free length (LfE), acoustic impedance (ZE), surface tension (σSE), ultrasonic speed (uE) were evaluated and confirmed the conclusions made for VmE. By Redlich-Kister equation, coefficients with standard deviations are computed to excess parameters. VmE is correlated by Prigogine–Flory–Patterson (PFP) and Topology theories at 308.15 K. Extended Langmuir model is examined for influence of the bulk mole fraction on surface tension. At T = 308.15 K, different derivatives of thermodynamic potentials, densities through Soave-Redlich-Kwong (SRK)/Peng-Robinson (PR) cubic equation of states, excess chemical potential and theoretical speeds using semi-empirical equations are evaluated. Using Hartmann–Balizar and Ballou non-linear equations, cohesive energy (ΔA), van der Wall's constants (a, b), distance of closest approach (d) are estimated through Sehgal's equations at all temperatures.",
keywords = "Benzyl benzoate, Density, Dimethyl carbonate, Excess thermodynamic properties, Langmuir model, Prigogine–Flory–Patterson theory, Speed of sound",
author = "G. Jyothirmai and Nayeem, {Sk Md} and Imran Khan and Ch Anjaneyulu",
year = "2018",
month = "1",
day = "1",
doi = "10.1016/j.molliq.2017.11.070",
language = "English",
volume = "249",
pages = "1183--1194",
journal = "Journal of Molecular Liquids",
issn = "0167-7322",
publisher = "Elsevier",

}

TY - JOUR

T1 - Exploring molecular interactions of binary mixture (dimethyl carbonate + benzyl benzoate)

T2 - Measurements and correlation

AU - Jyothirmai, G.

AU - Nayeem, Sk Md

AU - Khan, Imran

AU - Anjaneyulu, Ch

PY - 2018/1/1

Y1 - 2018/1/1

N2 - To explore the type of interaction and its behavior with temperature in the binary mixture (dimethyl carbonate + benzyl benzoate), the density (ρ) and speed of sound (u) are measured for the whole mole fraction range at various temperatures T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of computed excess molar volume (VmE) was examined and detailed analysis elucidated not only prevalence of strong molecular interactions between molecules in study but also its variation with temperature. Further, strong interactions are well supported by partial and their excess partial molar volume (V¯m,V¯mE,V¯mE,∞). Furthermore, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility (κsE), partial and their excess partial molar isentropic compressibility(K¯m, K¯mE), excess values of isobaric thermal expansion coefficient (αPE), isentropic compressibility (κsE), isothermal compressibility (kTE), intermolecular free length (LfE), acoustic impedance (ZE), surface tension (σSE), ultrasonic speed (uE) were evaluated and confirmed the conclusions made for VmE. By Redlich-Kister equation, coefficients with standard deviations are computed to excess parameters. VmE is correlated by Prigogine–Flory–Patterson (PFP) and Topology theories at 308.15 K. Extended Langmuir model is examined for influence of the bulk mole fraction on surface tension. At T = 308.15 K, different derivatives of thermodynamic potentials, densities through Soave-Redlich-Kwong (SRK)/Peng-Robinson (PR) cubic equation of states, excess chemical potential and theoretical speeds using semi-empirical equations are evaluated. Using Hartmann–Balizar and Ballou non-linear equations, cohesive energy (ΔA), van der Wall's constants (a, b), distance of closest approach (d) are estimated through Sehgal's equations at all temperatures.

AB - To explore the type of interaction and its behavior with temperature in the binary mixture (dimethyl carbonate + benzyl benzoate), the density (ρ) and speed of sound (u) are measured for the whole mole fraction range at various temperatures T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of computed excess molar volume (VmE) was examined and detailed analysis elucidated not only prevalence of strong molecular interactions between molecules in study but also its variation with temperature. Further, strong interactions are well supported by partial and their excess partial molar volume (V¯m,V¯mE,V¯mE,∞). Furthermore, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility (κsE), partial and their excess partial molar isentropic compressibility(K¯m, K¯mE), excess values of isobaric thermal expansion coefficient (αPE), isentropic compressibility (κsE), isothermal compressibility (kTE), intermolecular free length (LfE), acoustic impedance (ZE), surface tension (σSE), ultrasonic speed (uE) were evaluated and confirmed the conclusions made for VmE. By Redlich-Kister equation, coefficients with standard deviations are computed to excess parameters. VmE is correlated by Prigogine–Flory–Patterson (PFP) and Topology theories at 308.15 K. Extended Langmuir model is examined for influence of the bulk mole fraction on surface tension. At T = 308.15 K, different derivatives of thermodynamic potentials, densities through Soave-Redlich-Kwong (SRK)/Peng-Robinson (PR) cubic equation of states, excess chemical potential and theoretical speeds using semi-empirical equations are evaluated. Using Hartmann–Balizar and Ballou non-linear equations, cohesive energy (ΔA), van der Wall's constants (a, b), distance of closest approach (d) are estimated through Sehgal's equations at all temperatures.

KW - Benzyl benzoate

KW - Density

KW - Dimethyl carbonate

KW - Excess thermodynamic properties

KW - Langmuir model

KW - Prigogine–Flory–Patterson theory

KW - Speed of sound

UR - http://www.scopus.com/inward/record.url?scp=85035753389&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85035753389&partnerID=8YFLogxK

U2 - 10.1016/j.molliq.2017.11.070

DO - 10.1016/j.molliq.2017.11.070

M3 - Article

VL - 249

SP - 1183

EP - 1194

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

ER -