Kumar Sandeep, Lelisho Teshome Abute, Bahadur Indra, Singh Thishana
School of Chemistry and Physics, University of KwaZulu-Natal Private Bag X54001 Durban 4000 South Africa
Department of Chemistry, CNCS, Hawassa University Hawassa Ethiopia.
RSC Adv. 2025 Apr 11;15(15):11451-11464. doi: 10.1039/d4ra08020c. eCollection 2025 Apr 9.
Solute-solvent, solute-solute and solvent-solvent interactions are examined thermodynamics using apparent molar properties which are temperature dependent and are useful to define the isolated contribution of each component to the non-ideality of the mixture. Apparent molar volumes ( ) and apparent molar adiabatic compressibilities ( ) were investigated for three binary mixtures with different anions: 1-butyl-3-methylimidazolium chloride [Bmim][Cl], 1-butyl-1-methylpyrrolidinium chloride [Bmpym][Cl] and 1-butyl-3-methylimidazolium thiocyanide [Bmim][SCN] with dimethylformamide (DMF) at different temperatures (293.15-343.15) K and at ambient pressure. Density () and speed of sound () of the pure components and their mixtures were recorded. The data was fitted to the Redlich-Mayer polynomial equation to calculate the derived thermodynamic parameters: limiting apparent molar volume ( ), limiting apparent molar expansion ( ), thermal expansion coefficients ( ) and limiting apparent molar adiabatic compressibility ( ) along with their associated parameters ( , , , ). The primary focus of this study was to examine the effect of temperature on the anion and cation interaction of the IL with DMF and how these changes affected the IL structure. The computational investigation further examined the IL-solvent interaction energy and described the type of interaction in all three systems.
利用表观摩尔性质对溶质 - 溶剂、溶质 - 溶质和溶剂 - 溶剂相互作用进行热力学研究，表观摩尔性质与温度有关，有助于确定各组分对混合物非理想性的单独贡献。研究了三种含不同阴离子的二元混合物在不同温度（293.15 - 343.15）K和常压下与二甲基甲酰胺（DMF）的表观摩尔体积（ ）和表观摩尔绝热压缩系数（ ）：1 - 丁基 - 3 - 甲基咪唑鎓氯化物[Bmim][Cl]、1 - 丁基 - 1 - 甲基吡咯烷鎓氯化物[Bmpym][Cl]和1 - 丁基 - 3 - 甲基咪唑鎓硫氰化物[Bmim][SCN]。记录了纯组分及其混合物的密度（ ）和声速（ ）。将数据拟合到Redlich - Mayer多项式方程，以计算导出的热力学参数：极限表观摩尔体积（ ）、极限表观摩尔膨胀（ ）、热膨胀系数（ ）和极限表观摩尔绝热压缩系数（ ）及其相关参数（ ， ， ， ）。本研究的主要重点是研究温度对离子液体与DMF的阴离子和阳离子相互作用的影响，以及这些变化如何影响离子液体的结构。计算研究进一步考察了离子液体 - 溶剂相互作用能，并描述了所有三个体系中的相互作用类型。
