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Efficient storage through adsorbed natural gas technology necessitates an understanding of CH\n 4<\/jats:sub>\n \u2013adsorbent interactions. This study explored CH\n 4<\/jats:sub>\n adsorption on activated carbons at 1\u201335\u2009bar and 298\u2009K, determining an efficiency factor (\n \u03c6<\/jats:italic>\n ) as an indicator of optimal pore size. In the given system,\n \u03c6<\/jats:italic>\n ranged from 2.0 at 1\u2009bar to 2.5 at 35\u2009bar, indicating an increasing trend with pressure. To gain further insights, quantitative contributions (\n \n \n $${k}_{x}$$<\/jats:tex-math>\n \n \n \n k<\/mml:mi>\n <\/mml:mrow>\n \n x<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n ) were established based on different micropore sizes (\n \n \n $${d}_{{\\rm{i}}}$$<\/jats:tex-math>\n \n \n \n d<\/mml:mi>\n <\/mml:mrow>\n \n i<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n \u2009<\u20090.76\u2009nm, 0.76\u2009nm <\n \n \n $${d}_{{\\rm{ii}}}$$<\/jats:tex-math>\n \n \n \n d<\/mml:mi>\n <\/mml:mrow>\n \n ii<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n \u2009<\u20091.14\u2009nm, and 1.14\u2009nm <\n \n \n $${d}_{{\\rm{iii}}}$$<\/jats:tex-math>\n \n \n \n d<\/mml:mi>\n <\/mml:mrow>\n \n iii<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n \u2009<\u20092\u2009nm). At 1\u2009bar,\n \n \n $${k}_{{\\rm{i}}}$$<\/jats:tex-math>\n \n \n \n k<\/mml:mi>\n <\/mml:mrow>\n \n i<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n ,\n \n \n $${k}_{{\\rm{ii}}}$$<\/jats:tex-math>\n \n \n \n k<\/mml:mi>\n <\/mml:mrow>\n \n ii<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n , and\n \n \n $${k}_{{\\rm{iii}}}$$<\/jats:tex-math>\n \n \n \n k<\/mml:mi>\n <\/mml:mrow>\n \n iii<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n contributed 91, 9, and 1%, respectively. These contribution values shifted to 35, 54, and 11% at 35\u2009bar, suggesting that effective pore sizes increase with increasing pressure. Notably, CH\n 4<\/jats:sub>\n capacity directly correlated with\n \n \n $${d}_{{\\rm{ii}}}$$<\/jats:tex-math>\n \n \n \n d<\/mml:mi>\n <\/mml:mrow>\n \n ii<\/mml:mi>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:math>\n <\/jats:alternatives>\n <\/jats:inline-formula>\n in the high-pressure adsorption. Atomistic computations were used to elucidate the role of pore sizes in facilitating CH\n 4<\/jats:sub>\n accessibility at different pressures. This comprehensive model provides valuable insights for designing optimal adsorbents, specifically targeting pore size-dependent applications such as gas adsorption and separation, as well as catalyst supports.\n <\/jats:p>","DOI":"10.1038\/s41427-025-00609-4","type":"journal-article","created":{"date-parts":[[2025,7,18]],"date-time":"2025-07-18T02:15:51Z","timestamp":1752804951000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Unveiling pore size contributions and host-guest interactions in methane adsorption under varying pressure conditions: a semi-empirical adsorption model"],"prefix":"10.1038","volume":"17","author":[{"given":"Jong-Hoon","family":"Lee","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jaewoon","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Duho","family":"Kim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Seul-Yi","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6350-6135","authenticated-orcid":false,"given":"Soo-Jin","family":"Park","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2025,7,18]]},"reference":[{"key":"609_CR1","doi-asserted-by":"publisher","first-page":"604","DOI":"10.1038\/s41560-019-0427-x","volume":"4","author":"V Rozyyev","year":"2019","unstructured":"Rozyyev, V. et al. 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