氢在烯烃中的溶解度及其溶解性质的相关性与预测

Mohammad Jamali, Amir Abbas Izadpanah, Masoud Mofarahi
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引用次数: 10

摘要

本文研究了氢在不同温度和压力下在某些烯烃中的溶解度。用Peng-Robinson状态方程计算溶解度值。通过拟合实验数据的状态方程、群贡献法和Moysan相关性计算二元相互作用参数,总平均绝对偏差分别为3.90、17.60和13.62。由于氢在烯烃中的溶解度很低,我们也研究了这些溶液的亨利定律。计算结果表明,随着温度的升高,亨利常数减小。氢在乙烯和丙烯中的亨利常数对温度的依赖性高于对其他烯烃的温度依赖性。利用范霍夫方程,计算了氢在不同烯烃中溶解的热力学参数。结果表明,氢的溶解是自发的、吸热的。这些体系的溶解焓(\({\Delta H}^{^\circ }\))和吉布斯自由能(\({\Delta G}^{^\circ }\))的总平均值为3.867?kJ/mol和6.361?分别是kJ/mol。但是几乎所有烯烃中氢的溶解都不是一个熵驱动的过程。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Correlation and prediction of solubility of hydrogen in alkenes and its dissolution properties

In this work, solubility of hydrogen in some alkenes was investigated at different temperatures and pressures. Solubility values were calculated using the Peng–Robinson equation of state. Binary interaction parameters were calculated using fitting the equation of state on experimental data, Group contribution method and Moysan correlations and total average absolute deviation for these methods was 3.90, 17.60 and 13.62, respectively. Because hydrogen solubility in Alkenes is low, Henry’s law for these solutions were investigated, too. Results of calculation showed with increasing temperature, Henry’s constant was decreased. The temperature dependency of Henry’s constants of hydrogen in ethylene and propylene was higher than to other alkenes. In addition, using Van’t Hoff equation, the thermodynamic parameters for dissolution of hydrogen in various alkenes were calculated. Results indicated that the dissolution of hydrogen was spontaneous and endothermic. The total average of dissolution enthalpy (\({\Delta H}^{^\circ }\)) and Gibbs free energy (\({\Delta G}^{^\circ }\)) for these systems was 3.867?kJ/mol and 6.361?kJ/mol, respectively. But dissolution of hydrogen in almost of alkenes was not an entropy-driven process.

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来源期刊
Applied Petrochemical Research
Applied Petrochemical Research ENGINEERING, CHEMICAL-
自引率
0.00%
发文量
0
审稿时长
13 weeks
期刊介绍: Applied Petrochemical Research is a quarterly Open Access journal supported by King Abdulaziz City for Science and Technology and all the manuscripts are single-blind peer-reviewed for scientific quality and acceptance. The article-processing charge (APC) for all authors is covered by KACST. Publication of original applied research on all aspects of the petrochemical industry focusing on new and smart technologies that allow the production of value-added end products in a cost-effective way. Topics of interest include: • Review of Petrochemical Processes • Reaction Engineering • Design • Catalysis • Pilot Plant and Production Studies • Synthesis As Applied to any of the following aspects of Petrochemical Research: -Feedstock Petrochemicals: Ethylene Production, Propylene Production, Butylene Production, Aromatics Production (Benzene, Toluene, Xylene etc...), Oxygenate Production (Methanol, Ethanol, Propanol etc…), Paraffins and Waxes. -Petrochemical Refining Processes: Cracking (Steam Cracking, Hydrocracking, Fluid Catalytic Cracking), Reforming and Aromatisation, Isomerisation Processes, Dimerization and Polymerization, Aromatic Alkylation, Oxidation Processes, Hydrogenation and Dehydrogenation. -Products: Polymers and Plastics, Lubricants, Speciality and Fine Chemicals (Adhesives, Fragrances, Flavours etc...), Fibres, Pharmaceuticals.
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