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The relationship between the chemical potential of the dissolved carbon dioxide and its molar fraction was revealed. The Fickian diffusion coefficients were also computed and were found to increase linearly with the molar fraction. The adsorption behavior of the dissolved carbon dioxide as a solute was found to be associated with the accumulation and preferential orientation of the solvent water. The radial distribution functions of the water oxygen in various regions were analyzed, revealing the spatial inhomogeneity of the solvent structure. The inhomogeneity of dissipation, quantified by local mobility, was found to be proportional to the first peak of the radial distribution function of solvent water.<\/jats:p>","DOI":"10.1021\/acs.jpcb.6c04480","type":"journal-article","created":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T17:02:01Z","timestamp":1788541321000},"page":"9624-9633","source":"Crossref","is-referenced-by-count":0,"title":["Investigating Dissolved\nCarbon Dioxide Diffusion between\nSaturated Kaolinite-Slit Confinement using Molecular Dynamics Simulations"],"prefix":"10.1021","volume":"130","author":[{"given":"Yifeng","family":"Huang","sequence":"first","affiliation":[{"name":"Sichuan University , , ,","place":["Chengdu, China, 610065"]},{"name":"Xinjiang Production & Construction Corps Key Laboratory of Saline Soil Engineering Disasters , ,","place":["Urumqi, China, 830000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Luo","sequence":"additional","affiliation":[{"name":"Xizang Development Investment Group Co., Ltd. , ,","place":["Lhasa, China, 851414"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3507-1963","authenticated-orcid":true,"given":"Enlong","family":"Liu","sequence":"additional","affiliation":[{"name":"Sichuan University , , ,","place":["Chengdu, China, 610065"]},{"name":"Xinjiang Production & Construction Corps Key Laboratory of Saline Soil Engineering Disasters , ,","place":["Urumqi, China, 830000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lianjun","family":"Yang","sequence":"additional","affiliation":[{"name":"Sichuan University , , ,","place":["Chengdu, China, 610065"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chuan","family":"He","sequence":"additional","affiliation":[{"name":"Sichuan University , , ,","place":["Chengdu, China, 610065"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,4]]},"reference":[{"key":"2026091708474580300_cit1","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1007\/3-540-30970-5_14","article-title":"The\nMolecular Description of Mutual Diffusion Processes in Liquid Mixtures","volume-title":"Diffusion in Condensed Matter","author":"Weinga\u0308rtner","year":"2005"},{"issue":"1","key":"2026091708474580300_cit2","doi-asserted-by":"publisher","first-page":"371","DOI":"10.1111\/j.1365-2486.2011.02546.x","article-title":"The Dual Arrhenius\nand Michaelis\u2013Menten Kinetics Model for Decomposition of Soil\nOrganic Matter at Hourly to Seasonal Time Scales","volume":"18","author":"Davidson","year":"2012","journal-title":"Global Change Biol."},{"issue":"1","key":"2026091708474580300_cit3","doi-asserted-by":"publisher","first-page":"3452","DOI":"10.1038\/s41467-023-38981-w","article-title":"Global Warming Accelerates Soil Heterotrophic\nRespiration","volume":"14","author":"Nissan","year":"2023","journal-title":"Nat. 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