Volumetric, acoustic and spectroscopic studies of molecular interactions in 1-butyl-3-methylimidazolium hexafluorophosphate + ethyl/propyl/n-butyl acetate binary mixtures at different temperatures

IF 2.2 3区 工程技术 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Thermodynamics Pub Date : 2024-06-22 DOI:10.1016/j.jct.2024.107339
Nidhi, Anil Kumar Nain
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Abstract

The purpose of this work is to investigate the influence of concentration, temperature and molecular size on intermolecular interactions in the mixtures of 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM][PF6] with some alkyl acetates. The densities, ρ and speeds of sound, u for the 1-butyl-3-methylimidazolium hexafluorophosphate + ethyl acetate/propyl acetate/n-butyl acetate binary mixtures were measured over the entire range of composition at the temperatures, T = (293.15 – 323.15) K at 5 K intervals and at pressure, p = 101 kPa. The experimental data was used to calculate various excess properties, viz., excess molar volume, excess isentropic compressibility, excess intermolecular free length, excess speed of sound, excess molar isentropic compressibility and excess acoustic impedance. The partial molar volumes and compressibilities; and excess partial molar volumes and compressibilities of the components over the entire composition range and at infinite dilution have also been calculated. The results clearly indicated the presence of intermolecular interactions in these mixtures and the magnitude of [BMIM][PF6]-alkyl acetate interactions followed the order: ethyl acetate > propyl acetate > n-butyl acetate, i.e., the interactions were found dependent on the size of alkyl group of acetates. The speeds of sound were estimated theoretically using scaled particle theory and compared with experimental findings. FT-IR spectra of pure [BMIM][PF6], ethyl acetate, propyl acetate. n-butyl acetate and their equimolar mixtures were also recorded and analysed for better understanding of prevailing intermolecular interaction.

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不同温度下 1-丁基-3-甲基咪唑鎓六氟磷酸盐 + 乙基/丙基/乙酸正丁酯二元混合物中分子相互作用的体积、声学和光谱研究
本研究旨在探讨浓度、温度和分子大小对 1-丁基-3-甲基咪唑鎓六氟磷酸盐 [BMIM][PF] 与某些乙酸烷基酯混合物中分子间相互作用的影响。测量了 1-丁基-3-甲基咪唑鎓六氟磷酸盐+乙酸乙酯/乙酸丙酯/乙酸丁酯二元混合物在整个成分范围内的密度和声速,温度 = (293.15 - 323.15) K,间隔 5 K,压力 = 101 kPa。实验数据用于计算各种过量特性,如过量摩尔体积、过量等熵压缩率、过量分子间自由长度、过量声速、过量摩尔等熵压缩率和过量声阻抗。此外,还计算了各组分在整个成分范围内和无限稀释时的部分摩尔体积和压缩率,以及过剩部分摩尔体积和压缩率。结果清楚地表明,这些混合物中存在分子间相互作用,[BMIM][PF]-醋酸烷基相互作用的程度依次为:醋酸乙酯 > 醋酸丙酯 > 醋酸丁酯。利用比例粒子理论对声速进行了理论估算,并与实验结果进行了比较。纯[BMIM][PF]、醋酸乙酯、醋酸丙酯和醋酸丁酯的傅立叶变换红外光谱。-还记录并分析了乙酸丁酯及其等摩尔混合物的傅立叶变换红外光谱,以便更好地了解分子间的相互作用。
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来源期刊
Journal of Chemical Thermodynamics
Journal of Chemical Thermodynamics 工程技术-热力学
CiteScore
5.60
自引率
15.40%
发文量
199
审稿时长
79 days
期刊介绍: The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.
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