### 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 (R_{A}), 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 (Z^{E}), ultrasonic speed (u^{E}) 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 language | English |
---|---|

Pages (from-to) | 1-15 |

Number of pages | 15 |

Journal | Journal of Thermal Analysis and Calorimetry |

DOIs | |

Publication status | Accepted/In press - Dec 22 2017 |

### Fingerprint

### 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

*Journal of Thermal Analysis and Calorimetry*, 1-15. https://doi.org/10.1007/s10973-017-6926-8

**Thermo-physicochemical investigation of molecular interactions in binary combination (dimethyl carbonate + methyl benzoate) : Measurements and correlation.** / Jyothirmai, G.; Nayeem, S. M.; Khan, Imran; Anjaneyulu, C.

Research output: Contribution to journal › Article

*Journal of Thermal Analysis and Calorimetry*, pp. 1-15. https://doi.org/10.1007/s10973-017-6926-8

}

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

UR - http://www.scopus.com/inward/record.url?scp=85038817710&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85038817710&partnerID=8YFLogxK

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 -