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, Sk Md
AU - Khan, Imran
AU - Anjaneyulu, Ch
N1 - Publisher Copyright:
© 2017, Akadémiai Kiadó, Budapest, Hungary.
PY - 2018/4/1
Y1 - 2018/4/1
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 (VmE) 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 (V¯ m, V¯mE, V¯mE,∞). Additionally, 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), isothermal compressibility (kTE), intermolecular free length (LfE), acoustic impedance (ZE), ultrasonic speed (uE) were evaluated and confirmed the deductions of VmE. By Redlich–Kister equation, standard deviations are computed through coefficients for excess parameters. At T = 308.15 K, VmE 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 (VmE) 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 (V¯ m, V¯mE, V¯mE,∞). Additionally, 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), isothermal compressibility (kTE), intermolecular free length (LfE), acoustic impedance (ZE), ultrasonic speed (uE) were evaluated and confirmed the deductions of VmE. By Redlich–Kister equation, standard deviations are computed through coefficients for excess parameters. At T = 308.15 K, VmE 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 - SRK/PR EoS
KW - Sound speed
KW - Theory of topology
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U2 - 10.1007/s10973-017-6926-8
DO - 10.1007/s10973-017-6926-8
M3 - Article
AN - SCOPUS:85038817710
SN - 1388-6150
VL - 132
SP - 693
EP - 707
JO - Journal of Thermal Analysis and Calorimetry
JF - Journal of Thermal Analysis and Calorimetry
IS - 1
ER -