Thermo-physicochemical investigation of molecular interactions in binary combination (dimethyl carbonate + methyl benzoate)

Measurements and correlation

G. Jyothirmai, S. M. Nayeem, Imran Khan, C. Anjaneyulu

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

To probe the nature of interaction and its deeds with temperature in the binary combination (dimethyl carbonate + methyl benzoate), the density (ρ)/speed of sound (u) be established for the total mole fraction array at T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of evaluated excess molar volume ((Formula presented.)) was inspected and comprehensive analysis elucidated not only pervasiveness of strong molecular interactions between molecules but also its transform with temperature. Additional, strong interactions are properly hold up by partial and excess partial molar volume ((Formula presented.), (Formula presented.), (Formula presented.)). Additionally, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility ((Formula presented.)), partial and their excess partial molar isentropic compressibility ((Formula presented.), (Formula presented.)), excess values of isobaric thermal expansion coefficient ((Formula presented.)), isothermal compressibility ((Formula presented.)), intermolecular free length ((Formula presented.)), acoustic impedance (ZE), ultrasonic speed (uE) were evaluated and confirmed the deductions of (Formula presented.). By Redlich–Kister equation, standard deviations are computed through coefficients for excess parameters. At T = 308.15 K, (Formula presented.) is correlated by theories of Prigogine–Flory–Patterson (PFP)/topology/Soave–Redlich–Kwong (SRK)/Peng–Robinson (PR) cubic equation of states; prophesied first-order derivatives of thermodynamic potentials; using semi-empirical equations, excess chemical potential/activity coefficients/theoretical speeds are estimated and correlated. Further, microscopic molecular properties are assessed at all temperatures by Sehgal’s equations on nonlinear relations.

Original languageEnglish
Pages (from-to)1-15
Number of pages15
JournalJournal of Thermal Analysis and Calorimetry
DOIs
Publication statusAccepted/In press - Dec 22 2017

Fingerprint

Molecular interactions
molecular interactions
Compressibility
carbonates
Density (specific gravity)
Acoustic impedance
Chemical potential
Activity coefficients
Acoustic wave velocity
Equations of state
Temperature
Atmospheric pressure
Thermal expansion
Ultrasonics
compressibility
Topology
Association reactions
Thermodynamics
Derivatives
Molecules

Keywords

  • Activity coefficients
  • Density
  • Excess parameters
  • Nonlinear equations
  • Prigogine–Flory–Patterson theory
  • Sound speed
  • SRK/PR EoS
  • Theory of topology

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

@article{0a52cf42ad284c4ca98bd207efb31f93,
title = "Thermo-physicochemical investigation of molecular interactions in binary combination (dimethyl carbonate + methyl benzoate): Measurements and correlation",
abstract = "To probe the nature of interaction and its deeds with temperature in the binary combination (dimethyl carbonate + methyl benzoate), the density (ρ)/speed of sound (u) be established for the total mole fraction array at T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of evaluated excess molar volume ((Formula presented.)) was inspected and comprehensive analysis elucidated not only pervasiveness of strong molecular interactions between molecules but also its transform with temperature. Additional, strong interactions are properly hold up by partial and excess partial molar volume ((Formula presented.), (Formula presented.), (Formula presented.)). Additionally, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility ((Formula presented.)), partial and their excess partial molar isentropic compressibility ((Formula presented.), (Formula presented.)), excess values of isobaric thermal expansion coefficient ((Formula presented.)), isothermal compressibility ((Formula presented.)), intermolecular free length ((Formula presented.)), acoustic impedance (ZE), ultrasonic speed (uE) were evaluated and confirmed the deductions of (Formula presented.). By Redlich–Kister equation, standard deviations are computed through coefficients for excess parameters. At T = 308.15 K, (Formula presented.) is correlated by theories of Prigogine–Flory–Patterson (PFP)/topology/Soave–Redlich–Kwong (SRK)/Peng–Robinson (PR) cubic equation of states; prophesied first-order derivatives of thermodynamic potentials; using semi-empirical equations, excess chemical potential/activity coefficients/theoretical speeds are estimated and correlated. Further, microscopic molecular properties are assessed at all temperatures by Sehgal’s equations on nonlinear relations.",
keywords = "Activity coefficients, Density, Excess parameters, Nonlinear equations, Prigogine–Flory–Patterson theory, Sound speed, SRK/PR EoS, Theory of topology",
author = "G. Jyothirmai and Nayeem, {S. M.} and Imran Khan and C. Anjaneyulu",
year = "2017",
month = "12",
day = "22",
doi = "10.1007/s10973-017-6926-8",
language = "English",
pages = "1--15",
journal = "Journal of Thermal Analysis and Calorimetry",
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TY - JOUR

T1 - Thermo-physicochemical investigation of molecular interactions in binary combination (dimethyl carbonate + methyl benzoate)

T2 - Measurements and correlation

AU - Jyothirmai, G.

AU - Nayeem, S. M.

AU - Khan, Imran

AU - Anjaneyulu, C.

PY - 2017/12/22

Y1 - 2017/12/22

N2 - To probe the nature of interaction and its deeds with temperature in the binary combination (dimethyl carbonate + methyl benzoate), the density (ρ)/speed of sound (u) be established for the total mole fraction array at T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of evaluated excess molar volume ((Formula presented.)) was inspected and comprehensive analysis elucidated not only pervasiveness of strong molecular interactions between molecules but also its transform with temperature. Additional, strong interactions are properly hold up by partial and excess partial molar volume ((Formula presented.), (Formula presented.), (Formula presented.)). Additionally, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility ((Formula presented.)), partial and their excess partial molar isentropic compressibility ((Formula presented.), (Formula presented.)), excess values of isobaric thermal expansion coefficient ((Formula presented.)), isothermal compressibility ((Formula presented.)), intermolecular free length ((Formula presented.)), acoustic impedance (ZE), ultrasonic speed (uE) were evaluated and confirmed the deductions of (Formula presented.). By Redlich–Kister equation, standard deviations are computed through coefficients for excess parameters. At T = 308.15 K, (Formula presented.) is correlated by theories of Prigogine–Flory–Patterson (PFP)/topology/Soave–Redlich–Kwong (SRK)/Peng–Robinson (PR) cubic equation of states; prophesied first-order derivatives of thermodynamic potentials; using semi-empirical equations, excess chemical potential/activity coefficients/theoretical speeds are estimated and correlated. Further, microscopic molecular properties are assessed at all temperatures by Sehgal’s equations on nonlinear relations.

AB - To probe the nature of interaction and its deeds with temperature in the binary combination (dimethyl carbonate + methyl benzoate), the density (ρ)/speed of sound (u) be established for the total mole fraction array at T = (308.15, 313.15 and 318.15) K and at atmospheric pressure. Sign with magnitude of evaluated excess molar volume ((Formula presented.)) was inspected and comprehensive analysis elucidated not only pervasiveness of strong molecular interactions between molecules but also its transform with temperature. Additional, strong interactions are properly hold up by partial and excess partial molar volume ((Formula presented.), (Formula presented.), (Formula presented.)). Additionally, relative association (RA), Lennard-Jones repulsive power (n), excess isentropic compressibility ((Formula presented.)), partial and their excess partial molar isentropic compressibility ((Formula presented.), (Formula presented.)), excess values of isobaric thermal expansion coefficient ((Formula presented.)), isothermal compressibility ((Formula presented.)), intermolecular free length ((Formula presented.)), acoustic impedance (ZE), ultrasonic speed (uE) were evaluated and confirmed the deductions of (Formula presented.). By Redlich–Kister equation, standard deviations are computed through coefficients for excess parameters. At T = 308.15 K, (Formula presented.) is correlated by theories of Prigogine–Flory–Patterson (PFP)/topology/Soave–Redlich–Kwong (SRK)/Peng–Robinson (PR) cubic equation of states; prophesied first-order derivatives of thermodynamic potentials; using semi-empirical equations, excess chemical potential/activity coefficients/theoretical speeds are estimated and correlated. Further, microscopic molecular properties are assessed at all temperatures by Sehgal’s equations on nonlinear relations.

KW - Activity coefficients

KW - Density

KW - Excess parameters

KW - Nonlinear equations

KW - Prigogine–Flory–Patterson theory

KW - Sound speed

KW - SRK/PR EoS

KW - Theory of topology

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U2 - 10.1007/s10973-017-6926-8

DO - 10.1007/s10973-017-6926-8

M3 - Article

SP - 1

EP - 15

JO - Journal of Thermal Analysis and Calorimetry

JF - Journal of Thermal Analysis and Calorimetry

SN - 1388-6150

ER -