{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T12:31:24Z","timestamp":1792153884904,"version":"4.4.0"},"reference-count":71,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2024,8,22]],"date-time":"2024-08-22T00:00:00Z","timestamp":1724284800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004921","name":"Shanghai Jiao Tong University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004921","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000848","name":"University of Edinburgh","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000848","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100010665","name":"H2020 Marie Sklodowska-Curie Actions","doi-asserted-by":"publisher","award":["871998"],"award-info":[{"award-number":["871998"]}],"id":[{"id":"10.13039\/100010665","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Eng. Data"],"published-print":{"date-parts":[[2024,12,12]]},"DOI":"10.1021\/acs.jced.4c00233","type":"journal-article","created":{"date-parts":[[2024,8,22]],"date-time":"2024-08-22T21:52:51Z","timestamp":1724363571000},"page":"4466-4482","source":"Crossref","is-referenced-by-count":11,"title":["Adsorption and Diffusion of CH<sub>4<\/sub>, N<sub>2<\/sub>, and Their Mixture in MIL-101(Cr): A Molecular Simulation Study"],"prefix":"10.1021","volume":"69","author":[{"given":"Yimin","family":"Shao","sequence":"first","affiliation":[{"name":"Institute for Materials and Processes, School of Engineering, The University of Edinburgh, Edinburgh EH9 3FB, Scotland, U.K."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3204-2980","authenticated-orcid":true,"given":"Shanshan","family":"Wang","sequence":"additional","affiliation":[{"name":"College of Chemical Engineering, International Innovation Center for Forest Chemicals and Materials, Nanjing Forestry University, Nanjing, Jiangsu 210037, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2358-9375","authenticated-orcid":true,"given":"Liangliang","family":"Huang","sequence":"additional","affiliation":[{"name":"School of Sustainable Chemical, Biological and Materials Engineering, University of Oklahoma, Norman, Oklahoma 73019, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7863-6947","authenticated-orcid":true,"given":"Shenghong","family":"Ju","sequence":"additional","affiliation":[{"name":"China-UK Low Carbon College, Shanghai Jiao Tong University, Shanghai 201306, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6811-953X","authenticated-orcid":true,"given":"Xianfeng","family":"Fan","sequence":"additional","affiliation":[{"name":"Institute for Materials and Processes, School of Engineering, The University of Edinburgh, Edinburgh EH9 3FB, Scotland, U.K."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4036-467X","authenticated-orcid":true,"given":"Wei","family":"Li","sequence":"additional","affiliation":[{"name":"Institute for Materials and Processes, School of Engineering, The University of Edinburgh, Edinburgh EH9 3FB, Scotland, U.K."}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,8,22]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/s43979-022-00014-8"},{"key":"ref2\/cit2","unstructured":"Gielen, D.; Kram, T. The Role of Non-CO2 Greenhouse Gases in Meeting Kyoto Targets 1.  Climate Change and Economic Modelling: Background Analysis for the Kyoto Protocol, Paris, France, Sept 17\u201318, 1998."},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201904507"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.3390\/su142215135"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.energyfuels.1c02312"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2021.131239"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/aic.16287"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.jclepro.2022.135264"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.0c02730"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1093\/ce\/zkab013"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/je5008235"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.seppur.2022.120497"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1039\/D2NA00061J"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jp101531m"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.9b01740"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1039\/D1ME00060H"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/D1TA06238G"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1007\/s13738-013-0347-9"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ef402212t"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.1c22866"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/cm103644b"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.0c03456"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.colsurfa.2021.126554"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.fuel.2021.121965"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.applthermaleng.2016.08.126"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.ces.2013.05.009"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ja00043a027"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1063\/1.2179422"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/nmat4825"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.7b07029"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.5b00327"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.fuel.2018.12.002"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.050012497"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.0c00745"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1039\/C4CS00006D"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1039\/C4CS00230J"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2015.1010082"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/la904502h"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/j100389a010"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/ja00051a040"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2018.1426855"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/j.micromeso.2020.110053"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1006\/jcph.1995.1039"},{"key":"ref44\/cit44","unstructured":"LAMMPS.\npair_style lj\/long\/coul\/long command, 2024."},{"key":"ref45\/cit45","unstructured":"LAMMPS.\npair_modify command, 2024."},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/jp1059215"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b03119"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.6b02532"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.fuel.2020.119342"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.ces.2016.03.035"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/c3ce41737a"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1016\/j.micromeso.2011.11.022"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.energyfuels.1c02118"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1038\/srep12821"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.2c13446"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200902144"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jp8103276"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/jp500796e"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/S0263-7855(97)00009-X"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.fuel.2022.124295"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1260\/0263-6174.31.10.903"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.3c03639"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1016\/j.susmat.2023.e00701"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.3390\/en12193744"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/jp910863z"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/ie101260j"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2016.05.057"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/j.fuel.2015.10.035"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/j.memsci.2012.01.013"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.6b05506"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/j.seppur.2007.12.003"}],"container-title":["Journal of Chemical &amp; Engineering Data"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jced.4c00233","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jced.4c00233","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,12,12]],"date-time":"2024-12-12T09:10:55Z","timestamp":1733994655000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jced.4c00233"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,22]]},"references-count":71,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2024,12,12]]}},"alternative-id":["10.1021\/acs.jced.4c00233"],"URL":"https:\/\/doi.org\/10.1021\/acs.jced.4c00233","relation":{},"ISSN":["0021-9568","1520-5134"],"issn-type":[{"value":"0021-9568","type":"print"},{"value":"1520-5134","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,8,22]]}}}