{"id":2285,"date":"2024-07-11T19:22:15","date_gmt":"2024-07-11T10:22:15","guid":{"rendered":"https:\/\/matlantis.com\/?post_type=calculation&#038;p=2285"},"modified":"2025-06-24T12:40:25","modified_gmt":"2025-06-24T03:40:25","slug":"analysis-of-co2-adsorption-dynamics-of-mof-using-neb-method","status":"publish","type":"calculation","link":"https:\/\/matlantis.com\/ja\/calculation\/analysis-of-co2-adsorption-dynamics-of-mof-using-neb-method\/","title":{"rendered":"NEB\u6cd5\u3092\u7528\u3044\u305fMOF\u306eCO<sub>2<\/sub>\u5438\u7740\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u306e\u89e3\u6790"},"content":{"rendered":"<div class=\"calculation-imagebox\">\n\t<div class=\"calculation-imagebox-texts\">\n\t\t<h2>\u30c6\u30fc\u30de\u6982\u8981<\/h2>\n\t\t<p><p>\u30ab\u30fc\u30dc\u30f3\u30cb\u30e5\u30fc\u30c8\u30e9\u30eb\u793e\u4f1a\u3092\u5b9f\u73fe\u3059\u308b\u305f\u3081\u306b\u3001\u6e29\u5ba4\u52b9\u679c\u30ac\u30b9\u3067\u3042\u308bCO<sub>2<\/sub>\u3092\u56de\u53ce\u3001\u5206\u96e2\u3059\u308b\u6280\u8853\u306e\u78ba\u7acb\u306f\u55ab\u7dca\u306e\u8ab2\u984c\u3068\u306a\u3063\u3066\u3044\u307e\u3059\u3002\u91d1\u5c5e\u30a4\u30aa\u30f3\u3068\u6709\u6a5f\u591a\u5ea7\u914d\u4f4d\u5b50\u304c\u9023\u7d9a\u3057\u3066\u7d50\u5408\u3059\u308b\u3053\u3068\u3067\u69cb\u7bc9\u3055\u308c\u308b\u7d30\u5b54\u6027\u6750\u6599\u3067\u3042\u308bMetal-organic frameworks\uff08MOFs\uff09\u306f\u3001\u69cb\u6210\u8981\u7d20\uff08\u91d1\u5c5e\u3084\u914d\u4f4d\u5b50\uff09\u3092\u5909\u66f4\u3059\u308b\u3053\u3068\u3067\u69cb\u9020\u3084\u7269\u6027\u3092\u8abf\u6574\u53ef\u80fd\u3067\u3042\u308a\u3001\u305d\u306e\u8a2d\u8a08\u6027\u306e\u9ad8\u3055\u304b\u3089\u5206\u96e2\u6280\u8853\u306e\u5206\u91ce\u306b\u304a\u3044\u3066\u6ce8\u76ee\u3055\u308c\u308b\u7269\u8cea\u306e\u4e00\u3064\u3067\u3059\u3002<\/p>\n<p>\u6587\u732e\uff11\u306e\u7814\u7a76\u3067\u306f\u3001\u5916\u90e8\u3068\u306e\u63a5\u70b9\u3092\u6301\u305f\u306a\u3044\u5b64\u7acb\u3057\u305f\u7d30\u5b54\u3092\u6709\u3059\u308bMOF\u3092\u958b\u767a\u3057\u307e\u3057\u305f\u3002\u305d\u306eMOF\u306f\u69cb\u9020\u4e2d\u306b\u660e\u78ba\u306aCO<sub>2<\/sub>\u306e\u79fb\u52d5\u7d4c\u8def\u304c\u5b58\u5728\u3057\u306a\u3044\u306b\u3082\u304b\u304b\u308f\u3089\u305a\u3001CO<sub>2<\/sub>\u3092\u9078\u629e\u7684\u306b\u5438\u7740\u30fb\u8caf\u8535\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002\u3053\u306e\u7279\u7570\u7684\u306a\u5438\u7740\u73fe\u8c61\u306e\u30e1\u30ab\u30cb\u30ba\u30e0\u3092\u89e3\u660e\u3059\u308b\u305f\u3081\u306b\u3001Matlantis<sup>TM<\/sup>\u3092\u7528\u3044\u305f\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u5b9f\u65bd\u3057\u307e\u3057\u305f\u3002<\/p>\n<\/p>\n\t<\/div>\n\t<div class=\"calculation-imagebox-image\">\n\t\t<figure><img decoding=\"async\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture1.png\" alt=\"image\"><\/figure>\n\t<\/div>\n<\/div>\n\n<div class=\"calculation-imagebox\">\n\t<div class=\"calculation-imagebox-texts\">\n\t\t<h2>\u8a08\u7b97\u30e2\u30c7\u30eb\u3068\u8a08\u7b97\u65b9\u6cd5<\/h2>\n\t\t<p><p>\u8a08\u7b97\u5bfe\u8c61\u3068\u3057\u305f\u306e\u306fCO<sub>2<\/sub>\u3082N<sub>2<\/sub>\u3082\u5438\u7740\u3057\u306a\u3044MOF\u2460\u3068\u3001N<sub>2<\/sub>\u3092\u5438\u7740\u3057\u306a\u3044\u304cCO<sub>2<\/sub>\u3092\u5438\u7740\u3059\u308bMOF\u2461\u3092\u8a08\u7b97\u5bfe\u8c61\u3068\u3057\u307e\u3057\u305f\u3002\u3069\u3061\u3089\u3082\u5b64\u7acb\u7a7a\u9593\u306e\u7d30\u5b54\u3092\u6301\u3061\u3001\u4e00\u898b\u3059\u308b\u3068\u5206\u5b50\u304c\u7d30\u5b54\u306b\u5165\u308a\u8fbc\u3080\u3053\u3068\u306f\u3067\u304d\u307e\u305b\u3093\u3002<\/p>\n<p>CO<sub>2<\/sub>\u306e\u5438\u7740\u7d4c\u8def\u306e\u7279\u5b9a\u306e\u305f\u3081\u306b\u306f\u3001\u5316\u5b66\u53cd\u5fdc\u306e\u9077\u79fb\u72b6\u614b\u3092\u8a08\u7b97\u3059\u308b\u624b\u6cd5\u3067\u3042\u308bCl-NEB\u6cd5\u3092\u7528\u3044\u307e\u3057\u305f\u3002MOF\u306e\uff11\u3064\u306e\u7d30\u5b54\u5185\u306b\uff11\u3064\u306eCO<sub>2<\/sub>\u5206\u5b50\u304c\u53d6\u308a\u8fbc\u307e\u308c\u305f\u72b6\u614b\u3092\u59cb\u72b6\u614b\uff08IS\uff09\u3001\u96a3\u63a5\u3057\u305f\u7d30\u5b54\u5185\u306bCO<sub>2<\/sub>\u5206\u5b50\u304c\u53d6\u308a\u8fbc\u307e\u308c\u305f\u72b6\u614b\u3092\u7d42\u72b6\u614b\uff08FS\uff09\u3068\u3057\u3066\u3001\u59cb\u72b6\u614b\u3068\u7d42\u72b6\u614b\u306e\u3042\u3044\u3060\u306e\u72b6\u614b\u3092\u6c42\u3081\u307e\u3057\u305f\u3002<\/p>\n<\/p>\n\t<\/div>\n\t<div class=\"calculation-imagebox-image\">\n\t\t<figure><img decoding=\"async\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture2.png\" alt=\"image\"><\/figure>\n\t<\/div>\n<\/div>\n\n\n<div class=\"calculation-imagebox\">\n<div class=\"calculation-imagebox-texts\">\n<h2>\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b<\/h2>\n<p>MOF\u2461\u306b\u304a\u3051\u308bCO<sub>2<\/sub>\u5438\u7740\u306e\u8a08\u7b97\u7d50\u679c\u306f\u3001\u53f3\u306b\u793a\u3057\u305f\u56f3\u306e\u3088\u3046\u306b\u306a\u308a\u307e\u3057\u305f\u3002CO<sub>2<\/sub>\u304c\u901a\u904e\u3059\u308b\u77ac\u9593\u306e\u307fMOF\u306e\u9aa8\u683c\u69cb\u9020\u306b\u5fae\u7d30\u306a\u5909\u5316\u304c\u751f\u3058\u3001CO<sub>2<\/sub>\u304c\u79fb\u52d5\u3067\u304d\u308b\u901a\u8def\u304c\u73fe\u308c\u307e\u3059\u3002CO<sub>2<\/sub>\u304c\u901a\u308a\u904e\u304e\u308b\u3068\u901a\u8def\u304c\u6d88\u5931\u3059\u308b\u3053\u3068\u3067CO<sub>2<\/sub>\u304c\u7d30\u5b54\u5185\u306b\u9589\u3058\u8fbc\u3081\u3089\u308c\u307e\u3059\u3002CO<sub>2<\/sub>\u304c\u901a\u904e\u3059\u308b\u3068\u304d\u306b\u306f\u4e00\u6642\u7684\u306b\u30a8\u30cd\u30eb\u30ae\u30fc\u4e0d\u5b89\u5b9a\u306a\u72b6\u614b\u306b\u306a\u308a\u3001\u3053\u306e\u3053\u3068\u306fCO<sub>2<\/sub>\u306e\u5438\u7740\u306b\u6d3b\u6027\u5316\u969c\u58c1\u304c\u5b58\u5728\u3059\u308b\u3053\u3068\u3092\u793a\u5506\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n<p>MOF\u2460\u306eCO<sub>2<\/sub>\u3068N<sub>2<\/sub>\u306e\u5438\u7740\u3084\u3001MOF\u2461\u306eN<sub>2<\/sub>\u306e\u5438\u7740\u306b\u5bfe\u3057\u3066\u540c\u69d8\u306e\u8a08\u7b97\u3092\u884c\u3046\u3068\u3001\u6d3b\u6027\u5316\u969c\u58c1\u306fMOF\u2461\u306eCO<sub>2<\/sub>\u5438\u7740\u3088\u308a\u3082\u5927\u304d\u304f\u306a\u308b\u3053\u3068\u304c\u308f\u304b\u308a\u3001\u5b9f\u9a13\u7684\u306b\u89b3\u5bdf\u3055\u308c\u305f\u7d50\u679c\u3068\u306e\u6574\u5408\u6027\u304c\u78ba\u304b\u3081\u3089\u308c\u307e\u3057\u305f\u3002\u307e\u305f\u3001X\u7dda\u7d50\u6676\u69cb\u9020\u89e3\u6790\u3067\u3082\u5438\u7740\u524d\u5f8c\u3084\u5438\u7740\u306e\u6700\u4e2d\u306bMOF\u9aa8\u683c\u306e\u660e\u78ba\u306a\u69cb\u9020\u8ee2\u79fb\u306f\u78ba\u8a8d\u3055\u308c\u3066\u304a\u3089\u305a\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u898b\u3089\u308c\u305f\u539f\u5b50\u306e\u6319\u52d5\u3082\u5b9f\u9a13\u3092\u88cf\u4ed8\u3051\u308b\u3082\u306e\u306b\u306a\u3063\u3066\u3044\u307e\u3059\u3002<\/p>\n<p>MOF\u306f\u69cb\u9020\u8907\u96d1\u6027\u304b\u3089\u8a08\u7b97\u30b3\u30b9\u30c8\u3084\u8a08\u7b97\u7cbe\u5ea6\u306b\u8ab2\u984c\u304c\u3042\u308a\u3001MOF\u306e\u5438\u7740\u7279\u6027\u306e\u8a08\u7b97\u306b\u306fMOF\u306e\u90e8\u5206\u69cb\u9020\u306e\u307f\u3092\u53d6\u308a\u51fa\u3057\u305f\u30e2\u30c7\u30eb\u306b\u3088\u308b\u8a08\u7b97\u3084\u3001MOF\u9aa8\u683c\u306e\u539f\u5b50\u4f4d\u7f6e\u3092\u56fa\u5b9a\u3057\u305f\u30e2\u30c7\u30eb\u3067\u306e\u8a08\u7b97\u304c\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u307e\u3057\u305f\u3002\u4e00\u65b9\u3067\u3001MOF\u306f\u30ac\u30b9\u5438\u7740\u6642\u306b\u3057\u3070\u3057\u3070\u69cb\u9020\u5909\u5316\u3092\u8d77\u3053\u3057\u3001MOF\u306e\u30ac\u30b9\u5438\u7740\u7279\u6027\u306b\u306fMOF\u9aa8\u683c\u306e\u67d4\u8edf\u6027\u304c\u5927\u304d\u304f\u5bc4\u4e0e\u3059\u308b\u3053\u3068\u304c\u4e00\u822c\u7684\u306b\u77e5\u3089\u308c\u3066\u3044\u307e\u3059\u3002Matlantis\u306b\u3088\u3063\u3066\u3001MOF\u306e\u5b8c\u5168\u306a\u69cb\u9020\u306b\u5bfe\u3057\u3066\u69cb\u9020\u67d4\u8edf\u6027\u3092\u8003\u616e\u3057\u305f\u8a08\u7b97\u3092\u9ad8\u901f\u306b\u884c\u3048\u308b\u3053\u3068\u306f\u3001\u4eca\u5f8c\u306e\u65b0\u898fMOF\u8a2d\u8a08\u306b\u91cd\u8981\u306a\u793a\u5506\u3092\u4e0e\u3048\u308b\u3068\u671f\u5f85\u3055\u308c\u307e\u3059\u3002<\/p>\n<\/div>\n<div class=\"calculation-imagebox-image\">\n<figure class=\"wp-block-image size-full\"><img decoding=\"async\" loading=\"lazy\" width=\"1920\" height=\"1080\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/image18.gif\" alt=\"\" class=\"wp-image-2288\"><\/figure>\n\n<figure class=\"wp-block-image size-full is-resized\"><img decoding=\"async\" loading=\"lazy\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture6.png\" alt=\"\" class=\"wp-image-2290\" width=\"399\" height=\"32\" srcset=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture6.png 521w, https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture6-300x25.png 300w\" sizes=\"auto, (max-width: 399px) 100vw, 399px\" style=\"border:none\"><\/figure>\n\n<figure class=\"wp-block-image size-large\"><img decoding=\"async\" loading=\"lazy\" width=\"1024\" height=\"451\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture7-1024x451.png\" alt=\"\" class=\"wp-image-2291\" srcset=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture7-1024x451.png 1024w, https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture7-300x132.png 300w, https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture7-768x338.png 768w, https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture7-1536x677.png 1536w, https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture7-2048x902.png 2048w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\"><\/figure>\n\n<\/div>\n<\/div>\n\n\n<div class=\"calculation-imagebox\">\n\t<div class=\"calculation-imagebox-texts\">\n\t\t<h2>\u8a08\u7b97\u6761\u4ef6<\/h2>\n\t\t<p><\/p>\n\t<\/div>\n\t<div class=\"calculation-imagebox-image\">\n\t\t<figure><img decoding=\"async\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/07\/Picture4.png\" alt=\"image\"><\/figure>\n\t<\/div>\n<\/div>\n\n\n<h2 class=\"wp-block-heading\">\u53c2\u8003\u6587\u732e<\/h2>\n\n\n<small>[1] <a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/advs.202307417\" rel=\"nofollow noopener\" target=\"_blank\">T. Shimada et al. Adv. Sci. 2024, 11, 2307417<\/a><\/small>\n\n<small>[2] G. Henkelman et al. J. Chem. Phys. 2000, 113, 9901.\u00a0<\/small>\n\n\n<div style=\"height:100px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<h2 class=\"wp-block-heading\">\u95a2\u9023\u8cc7\u6599<\/h2>\n\n\n<small>[3] <a href=\"https:\/\/www.youtube.com\/watch?v=apyu5xOfuXU\" rel=\"nofollow noopener\" target=\"_blank\">\u8b1b\u6f14\u52d5\u753b<\/a><\/small>\n\n<small>[4] \u6771\u4eac\u5de5\u696d\u5927\u5b66\u30a6\u30a7\u30d6\u30b5\u30a4\u30c8\u00a0<br><a href=\"https:\/\/www.titech.ac.jp\/news\/2023\/067904\" rel=\"nofollow noopener\" target=\"_blank\">\u65b0\u898f\u306a\u300cMagic door\u300d\u6a5f\u69cb\u306b\u3088\u308bCO2\u306e\u9078\u629e\u7684\u6355\u6349 \u30ab\u30fc\u30dc\u30f3\u30cb\u30e5\u30fc\u30c8\u30e9\u30eb\u793e\u4f1a\u306e\u5b9f\u73fe\u3078\u5411\u3051\u9769\u65b0\u7684MOF\u7d20\u6750\u3092\u5275\u51fa | \u6771\u5de5\u5927\u30cb\u30e5\u30fc\u30b9 | \u6771\u4eac\u5de5\u696d\u5927\u5b66 (titech.ac.jp)<\/a><\/small>\n\n<small>[5] ENEOS\u682a\u5f0f\u4f1a\u793e\u30a6\u30a7\u30d6\u30b5\u30a4\u30c8<br><a href=\"https:\/\/www.eneos-rd.com\/news\/article\/?newsid=news__0010\" rel=\"nofollow noopener\" target=\"_blank\">\u65b0\u898f\u306a\u300cMagic door\u300d\u6a5f\u69cb\u306b\u3088\u308bCO<sub>2<\/sub>\u306e\u9078\u629e\u7684\u6355\u6349\u306b\u95a2\u3059\u308b\u7814\u7a76\u6210\u679c\u304cAdvanced Science\u306b\u63b2\u8f09\uff082023\u5e7411\u6708\uff09\uff5c\u7814\u7a76\u6240NEWS &amp; TOPICS\uff5c\u7814\u7a76\u958b\u767a\u7279\u8a2d\u30b5\u30a4\u30c8 (eneos-rd.com)<\/a><\/small>\n\n\n<h2 class=\"wp-block-heading\">\u4e8b\u4f8b\u63d0\u4f9b\u8005\u30d7\u30ed\u30d5\u30a3\u30fc\u30eb<\/h2>\n\n\n\n<!-- \u30d7\u30ed\u30d5\u30a3\u30fc\u30eb\u7d39\u4ecb -->\n          <div class=\"company-profile\">\n            <div class=\"company-profile__content\">\n              <h2 class=\"company-profile__name\">\u6771\u4eac\u79d1\u5b66\u5927\u5b66(Institute of Science Tokyo)<\/h2>\n            <\/div>\n            <div class=\"company-profile__media\">\n              <img decoding=\"async\" src=\"\/wp-content\/uploads\/2022\/08\/sciencetolyologoTop.png\" alt=\"\u4f01\u696d\u30ed\u30b4\">\n            <\/div>\n          <\/div>\n          <!-- \u3053\u3053\u307e\u3067\u3000\u30d7\u30ed\u30d5\u30a3\u30fc\u30eb\u7d39\u4ecb -->\n","protected":false},"featured_media":2306,"template":"","meta":{"_acf_changed":false},"calculation_category":[30,9],"class_list":["post-2285","calculation","type-calculation","status-publish","has-post-thumbnail","hentry","calculation_category-mofs","calculation_category-adsorbents"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation\/2285","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation"}],"about":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/types\/calculation"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media\/2306"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=2285"}],"wp:term":[{"taxonomy":"calculation_category","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation_category?post=2285"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}