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Molecular interactions in ternary liquid mixtures containing alkyl imidazolium tetrafluroborates and cyclic ketones: Excess molar volumes and excess isentropic compressibilities
Chemical Data Collections Pub Date : 2021-02-01 , DOI: 10.1016/j.cdc.2020.100603
Sunita Malik , Heena Gupta , Vinod Kumar Sharma

Abstract Measured densities, ρ23, ρ123; speeds of sound, u23, u123 of binary cyclopentanone (CPO) (2) + cyclohexanone CHO (3) and ternary 1-ethyl-3-methylimidazolium tetrafluoroborate, [Emim][BF4] or 1-butyl-3-methylimidazolium tetrafluoroborate [Bmim][BF4] or 1-butyl-2,3-dimethylimidazolium tetrafluoroborate [Bmmim][BF4] (1) + CPO (2) + CHO (3) mixtures as a function of composition from (293.15-308.15) K with 5 K interval have been utilized to determine excess molar volumes, V 23 E , V 123 E and excess isentropic compressiblities, ( κ S E ) 23 , ( κ S E ) 123 . Analyses of V 123 E , ( κ S E ) 123 of [Emim][BF4] or [Bmim][BF4] (1) + CPO (2) + CHO (3) mixtures suggest strong interactions between the oxygen atom of CHO with hydrogen atom/s attached to imidazolium ring of [Emim][BF4] in comparision to [Bmim][BF4] . V 123 E , ( κ S E ) 123 data of present mixtures suggest that [Bmmim][BF4] (1) + CPO (2) + CHO (3) mixture possesses least interactions among the constituent molecules. Graph theory correctly predicts V 123 E , ( κ S E ) 123 of the studied mixtures and lends support to various assumptions made in deriving expressions for V 123 E , ( κ S E ) 123 .

中文翻译:

含有烷基咪唑鎓四氟硼酸盐和环酮的三元液体混合物中的分子相互作用:摩尔体积过大和等熵压缩性过大

摘要 实测密度,ρ23、ρ123;二元环戊酮 (CPO) (2) + 环己酮 CHO (3) 和三元 1-乙基-3-甲基咪唑鎓四氟硼酸盐 [Emim][BF4] 或 1-丁基-3-甲基咪唑鎓四氟硼酸盐 [Bmim] 的声速、u23、u123 ][BF4] 或 1-丁基-2,3-二甲基咪唑鎓四氟硼酸盐 [Bmmim][BF4] (1) + CPO (2) + CHO (3) 混合物作为 (293.15-308.15) K 与 5 K 组成的函数间隔已用于确定过量摩尔体积 V 23 E 、V 123 E 和过量等熵压缩性 (κ SE ) 23 、(κ SE ) 123 。[Emim][BF4] 或 [Bmim][BF4] (1) + CPO (2) + CHO (3) 混合物的 V 123 E , ( κ SE ) 123 分析表明 CHO 的氧原子与氢之间存在强相互作用与 [Bmim][BF4] 相比,连接到 [Emim][BF4] 咪唑鎓环的原子数。V 123 E , ( κ SE ) 现有混合物的 123 数据表明 [Bmmim][BF4] (1) + CPO (2) + CHO (3) 混合物在组成分子之间具有最少的相互作用。图论正确地预测了所研究混合物的 V 123 E, (κ SE) 123 并支持在推导 V 123 E, (κ SE) 123 表达式时所做的各种假设。
更新日期:2021-02-01
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