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- W3209921111 abstract "Density, ρ, speed of sound, u, and the difference in the temperature before and after the mixing process , ΔT, were measured for binary mixtures containing of cyclohexanol (CYC) + diethanolamine (DEA) or triethanolamine (TEA) or butylamine (BUT) or hexylamine (HEX) at (303.15–318.15) K except ΔT at 303.15 K. The excess molar volume, VmE, excess partial molar volume, Vm,iE, excess thermal expansion coefficient, αE, isothermal coefficient of excess molar enthalpy,(∂HmE∂P)T,x, deviation in isentropic compressibility,Δκs, excess molar enthalpy,HmE, and excess partial molar enthalpy, Hm,iE, were also calculated. The calculated data were satisfactorily correlated by Redlich – Kister equation. Some empirical models such as (Prigogine–Flory–Paterson) PFP, Wilson, (Non-Random Two Liquid) NRTL and (universal quasi chemical) UNIQUAC. Computational methods were performed using density function theory (DFT) and molecular dynamics (MD) simulation and were used to discuss and compare intramolecular and intermolecular interactions. An acceptable agreement was found between empirical and theoretical data." @default.
- W3209921111 created "2021-11-08" @default.
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- W3209921111 date "2022-03-01" @default.
- W3209921111 modified "2023-10-03" @default.
- W3209921111 title "Experimental, theoretical and computational study of binary systems of alkanolamines and alkylamines with cyclohexanol at different temperatures" @default.
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- W3209921111 doi "https://doi.org/10.1016/j.jct.2021.106668" @default.
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