文章基本信息

标题：Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS
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作者：Muhammad Syahir Aminuddin ; Zakaria Man ; Mohamad Azmi Bustam Khalil 等
期刊名称：E3S Web of Conferences
印刷版ISSN：2267-1242
电子版ISSN：2267-1242
出版年度：2021
卷号：287
页码：1-8
DOI：10.1051/e3sconf/202128702003
语种：English
出版社：EDP Sciences
摘要：In order to identify the best possible reaction media for performing H2S conversion, a total number of 300 different ILs from a combination of 20 cations and 15 anions were screened via COSMO-RS model simulations. By COSMO-RS method, thermodynamic and physicochemical properties of 300 ILs such as Henry’s law constants, activity coefficient, selectivity, capacity and performance index are obtained and analyzed. Thus, by comparing the performance of ILs via COSMO-RS, a series of TSILs containing cation of [P66614] with metal chloride anions such as Fe, Ga and Sn were chosen and selected for synthesis based on their performance predicted by COSMO-RS and their economic values. Consequently, the physiochemical properties such as density, viscosity, thermal properties, as well as H2S absorptive oxidation performances in those TSILs will be systematically investigated.
关键词：Task Specific Ionic Liquids;Conversion of H2S;H2S;Sour Natural Gas