{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,16]],"date-time":"2026-06-16T21:48:41Z","timestamp":1781646521869,"version":"3.54.5"},"reference-count":60,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2019,5,27]],"date-time":"2019-05-27T00:00:00Z","timestamp":1558915200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Molecular dynamics simulations are used to study the transport of CO     2    , H     2    S and CH     4     molecules across environmentally friendly choline-benzoate and choline-lactate ionic liquids (ILs). The permeability coefficients of the considered molecules are calculated using the free energy and diffusion rate profiles. Both systems show the largest resistance to CH     4    , whereas more than 5 orders of magnitude larger permeability coefficients are obtained for the other two gas molecules. The CO     2    \/CH     4     and H     2    S\/CH     4     selectivity was estimated to be more than 10     4     and 10     5    , respectively. These results indicate the great potential of the considered ILs for greenhouse gas control.<\/jats:p>","DOI":"10.3390\/molecules24102014","type":"journal-article","created":{"date-parts":[[2019,5,27]],"date-time":"2019-05-27T11:19:27Z","timestamp":1558955967000},"page":"2014","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":22,"title":["Permeabilities of CO2, H2S and CH4 through Choline-Based Ionic Liquids: Atomistic-Scale Simulations"],"prefix":"10.3390","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1679-4127","authenticated-orcid":false,"given":"Abdukarem","family":"Amhamed","sequence":"first","affiliation":[{"name":"Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha 34110, Qatar"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8270-7904","authenticated-orcid":false,"given":"Mert","family":"Atilhan","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering, Texas A&amp;M University at Qatar, Doha 23874, Qatar"},{"name":"Gas and Fuels Research Center, Texas A&amp;M University, College Station, TX 77843, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4483-4800","authenticated-orcid":false,"given":"Golibjon","family":"Berdiyorov","sequence":"additional","affiliation":[{"name":"Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha 34110, Qatar"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2019,5,27]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1037","DOI":"10.1038\/nature06045","article-title":"Projected increase in continental runoff due to plant responses to increasing carbon dioxide","volume":"448","author":"Betts","year":"2007","journal-title":"Nature"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"733","DOI":"10.1038\/455733a","article-title":"Crisis reading","volume":"455","author":"Meyer","year":"2008","journal-title":"Nature"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"1647","DOI":"10.1126\/science.1172246","article-title":"Carbon capture and storage: How green can black be?","volume":"325","author":"Haszeldine","year":"2009","journal-title":"Science"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"1654","DOI":"10.1126\/science.1175680","article-title":"Why capture CO2 from the atmosphere?","volume":"325","author":"Keith","year":"2009","journal-title":"Science"},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1038\/nature11475","article-title":"Opportunities and challenges for a sustainable energy future","volume":"488","author":"Chu","year":"2012","journal-title":"Nature"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"8149","DOI":"10.1021\/ie3003705","article-title":"State-of-the-art of CO2 capture with ionic liquids","volume":"51","author":"Ramdin","year":"2012","journal-title":"Ind. 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