eprintid: 8301
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/00/83/01
datestamp: 2023-11-09 16:20:11
lastmod: 2023-11-09 16:20:11
status_changed: 2023-11-09 16:12:18
type: article
metadata_visibility: show
creators_name: Khan, A.S.
creators_name: Man, Z.
creators_name: Bustam, M.A.
creators_name: Gonfa, G.
creators_name: Chong, F.K.
creators_name: Ullah, Z.
creators_name: Nasrullah, A.
creators_name: Sarwono, A.
creators_name: Ahmad, P.
creators_name: Muhammad, N.
title: Effect of Structural Variations on the Thermophysical Properties of Protic Ionic Liquids: Insights from Experimental and Computational Studies
ispublished: pub
keywords: Activation energy; Computation theory; Density functional theory; Ionic liquids; Refractive index; Thermal expansion; Thermodynamic properties; Viscosity, Computational studies; Electronic-polarizability; Experimental values; Protic ionic liquids; Structural variations; Thermal expansion coefficients; Trifluoromethanesulfonate; Wide temperature ranges, Structural properties
note: cited By 21
abstract: In this work, new protic ionic liquids (PILs) based on 1-methylimidazolium/1-propanenitrileimidazolium cations with hydrogen sulfate, methanesulfonate, trifluoromethanesulfonate, para-toluenesulfonate, trifluoroacetate, and acetate anions were synthesized. The structures and purity of the products were confirmed by using 1H and 13C NMR and CHNS elemental analysis. The effect of structural variations on the thermophysical properties, namely, refractive index, density, and viscosity, was evaluated in a wide temperature range. The viscosity and density values were measured within the temperature range of 293.15-373.15 K. The density values were used further to calculate more properties like thermal expansion coefficient, molecular volume, standard entropy, and the lattice energy. Moreover, the experimental values of viscosity were used for the calculation of activation energy. Refractive indices were measured within the temperature range of 293.15-323.15 K, and these values were also used in the calculation of electronic polarizability. Acid numbers of the prepared PILs were measured and correlated with their structure moiety. In addition, the density functional theory (DFT) calculations were performed to get a deeper insight into the effect of structural variations of the ion pairs on their physical properties. © 2017 American Chemical Society.
date: 2017
publisher: American Chemical Society
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85031326692&doi=10.1021%2facs.jced.6b00450&partnerID=40&md5=d884fd2414fa55973a399a969919191f
id_number: 10.1021/acs.jced.6b00450
full_text_status: none
publication: Journal of Chemical and Engineering Data
volume: 62
number: 10
pagerange: 2993-3003
refereed: TRUE
issn: 00219568
citation:   Khan, A.S. and Man, Z. and Bustam, M.A. and Gonfa, G. and Chong, F.K. and Ullah, Z. and Nasrullah, A. and Sarwono, A. and Ahmad, P. and Muhammad, N.  (2017) Effect of Structural Variations on the Thermophysical Properties of Protic Ionic Liquids: Insights from Experimental and Computational Studies.  Journal of Chemical and Engineering Data, 62 (10).  pp. 2993-3003.  ISSN 00219568