Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS
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 He...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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EDP Sciences
2021-01-01
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| Series: | E3S Web of Conferences |
| Subjects: | |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/63/e3sconf_icpeam2020_02003.pdf |
| _version_ | 1819027924816232448 |
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| author | Aminuddin Muhammad Syahir Man Zakaria Bustam Khalil Mohamad Azmi Abdullah Bawadi |
| author_facet | Aminuddin Muhammad Syahir Man Zakaria Bustam Khalil Mohamad Azmi Abdullah Bawadi |
| author_sort | Aminuddin Muhammad Syahir |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-21T05:50:12Z |
| format | Article |
| id | doaj.art-0de5df82bca148518d6c188584f3afb3 |
| institution | Directory Open Access Journal |
| issn | 2267-1242 |
| language | English |
| last_indexed | 2024-12-21T05:50:12Z |
| publishDate | 2021-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | E3S Web of Conferences |
| spelling | doaj.art-0de5df82bca148518d6c188584f3afb32022-12-21T19:14:00ZengEDP SciencesE3S Web of Conferences2267-12422021-01-012870200310.1051/e3sconf/202128702003e3sconf_icpeam2020_02003Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RSAminuddin Muhammad Syahir0Man Zakaria1Bustam Khalil Mohamad Azmi2Abdullah Bawadi3Universiti Teknologi PETRONAS, Chemical Engineering DepartmentUniversiti Teknologi PETRONAS, Chemical Engineering DepartmentUniversiti Teknologi PETRONAS, Chemical Engineering DepartmentUniversiti Teknologi PETRONAS, Chemical Engineering DepartmentIn 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.https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/63/e3sconf_icpeam2020_02003.pdftask specific ionic liquidsconversion of h2sh2ssour natural gas |
| spellingShingle | Aminuddin Muhammad Syahir Man Zakaria Bustam Khalil Mohamad Azmi Abdullah Bawadi Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS E3S Web of Conferences task specific ionic liquids conversion of h2s h2s sour natural gas |
| title | Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS |
| title_full | Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS |
| title_fullStr | Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS |
| title_full_unstemmed | Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS |
| title_short | Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS |
| title_sort | screening of metal chloride anion based ionic liquids for direct conversion of hydrogen sulfide by cosmo rs |
| topic | task specific ionic liquids conversion of h2s h2s sour natural gas |
| url | https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/63/e3sconf_icpeam2020_02003.pdf |
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