不同温度下苯乙酮与氯代烷烃和氯代烷烃溶液分子相互作用的PC-SAFT模型:体积、声学和电磁方法

IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL
Shahriar Shahvarpour, Hossein Iloukhani, Khatereh Khanlarzadeh
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引用次数: 0

摘要

这项研究旨在研究热力学、声学和电磁学的性质,以了解不同化合物内部和之间分子之间的相互作用。该研究还考察了分子的形状和结构、温度以及烷烃和烯烃中氯原子的存在对这些性质的影响。在298.15 K至318.15 K的温度范围内,测量了苯乙酮与1,2-二氯乙烷、1,1,1-三氯乙烷、1,1,2,2-四氯乙烷、三氯乙烷或四氯乙烷的各种混合物的密度(ρ)、声速(u)和折射率(\({n}_{\text{D}}\))。此外,还计算了过量摩尔体积(\({V}_{\text{m}}^{\text{E}}\))、等熵可压缩性\(({K}_{s}\))、过量等熵可压缩性(\({\kappa }_{\text{S}}^{\text{E}}\))和过量折射率\({(n}_{\text{D}}^{\text{E}}),\)。这些量与Werblan关系相关。除苯乙酮+ 1,2-二氯乙烷为正值外,其余混合物的\({V}_{\text{m}}^{\text{E}}\)值均为负值,而四氯乙烯体系的值均为正值和负值。所有二元混合物的\(({\kappa }_{\text{S}}^{\text{E}}),\)值均为负值。最后,1,2-二氯乙烷对苯乙酮的\(\text{the} {(n}_{\text{D}}^{\text{E}})\)值为负,对四氯乙烯在苯乙酮的低体积分数下观察到反转符号。其余三种二元混合物的\({(n}_{\text{D}}^{\text{E}})\)值均为正。PC-SAFT模型准确预测了混合密度,与实验数据吻合较好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

PC-SAFT Model on Molecular Interactions in Acetophenone with Chloroalkanes and Chloroalkenes Solutions at Different Temperatures: Volumetric, Acoustic, and Electromagnetic Approach

PC-SAFT Model on Molecular Interactions in Acetophenone with Chloroalkanes and Chloroalkenes Solutions at Different Temperatures: Volumetric, Acoustic, and Electromagnetic Approach

The study aimed to investigate the properties of thermodynamics, acoustics, and electromagnetism in order to understand the interactions between molecules both within and between different compounds. The study also examined how molecular shape and structure, as well as temperature and the presence of chlorine atoms in alkanes and alkenes, influenced these properties. Measurements were taken for densities (ρ), speeds of sound (u), and refractive indices (\({n}_{\text{D}}\)) in various mixtures containing acetophenone with 1,2-dichloroethane, 1,1,1-trichloroethane, 1,1,2,2-tetrachloroethane, trichloroethene or tetrachloroethene at temperatures ranging from 298.15 K to 318.15 K. Additionally, excess molar volumes (\({V}_{\text{m}}^{\text{E}}\)), isentropic compressibilities\(({K}_{s}\)), excess isentropic compressibilities (\({\kappa }_{\text{S}}^{\text{E}}\)), and excess refractive index \({(n}_{\text{D}}^{\text{E}}),\) were calculated. The quantities were correlated with the Werblan relation. The \({V}_{\text{m}}^{\text{E}}\) values exhibited negative for all mixtures except for acetophenone + 1,2-dichloroethane which had positive values while the tetrachloroethene system showed both positive and negative values. The \(({\kappa }_{\text{S}}^{\text{E}}),\) values were showed negative for all binary mixtures. Lastly, \(\text{the} {(n}_{\text{D}}^{\text{E}})\) values for acetophenone with 1,2-dichloroethane were negative and with tetrachloroethene an inversion in sign at low volume fraction of acetophenone was observed. For the three remaining binary mixtures the \({(n}_{\text{D}}^{\text{E}})\) values were exhibited positive. The PC-SAFT model accurately predicted mixture densities and matched well with experimental data.

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来源期刊
Journal of Solution Chemistry
Journal of Solution Chemistry 化学-物理化学
CiteScore
2.30
自引率
0.00%
发文量
87
审稿时长
3-8 weeks
期刊介绍: Journal of Solution Chemistry offers a forum for research on the physical chemistry of liquid solutions in such fields as physical chemistry, chemical physics, molecular biology, statistical mechanics, biochemistry, and biophysics. The emphasis is on papers in which the solvent plays a dominant rather than incidental role. Featured topics include experimental investigations of the dielectric, spectroscopic, thermodynamic, transport, or relaxation properties of both electrolytes and nonelectrolytes in liquid solutions.
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