{"id":1969,"date":"2024-04-24T16:09:39","date_gmt":"2024-04-24T07:09:39","guid":{"rendered":"https:\/\/matlantis.com\/?post_type=calculation&#038;p=1969"},"modified":"2025-11-25T14:47:48","modified_gmt":"2025-11-25T05:47:48","slug":"thermal-decomposition-of-epoxy-molecules","status":"publish","type":"calculation","link":"https:\/\/matlantis.com\/ja\/calculation\/thermal-decomposition-of-epoxy-molecules\/","title":{"rendered":"\u30a8\u30dd\u30ad\u30b7\u5206\u5b50\u306e\u71b1\u5206\u89e3\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3"},"content":{"rendered":"\n<h2 class=\"wp-block-heading\">\u30c6\u30fc\u30de\u6982\u8981<\/h2>\n\n\n\n<p>\u30a8\u30dd\u30ad\u30b7\u6a39\u8102\u306e\u71b1\u5206\u89e3\u53cd\u5fdc\u306f\u3001\u30d7\u30e9\u30b9\u30c1\u30c3\u30af\u30ea\u30b5\u30a4\u30af\u30eb\u306e\u30d7\u30ed\u30bb\u30b9\u8a2d\u8a08\u306b\u304a\u3044\u3066\u91cd\u8981\u3067\u3059\u3002\u901a\u5e38\u3001\u30dd\u30ea\u30de\u30fc\u5206\u5b50\u306e\u71b1\u5206\u89e3\u306f\u9ad8\u6e29\u3067\u9032\u884c\u3057\u3001\u69d8\u3005\u306a\u5c0f\u5206\u5b50\u304c\u751f\u6210\u3055\u308c\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u3053\u306e\u3088\u3046\u306a\u53cd\u5fdc\u904e\u7a0b\u3092\u6271\u3046\u65b9\u6cd5\u3068\u3057\u3066\u3001\u53cd\u5fdc\u529b\u5834(ReaxFF)\u3092\u7528\u3044\u305f\u53e4\u5178\u5206\u5b50\u52d5\u529b\u5b66(MD)\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304c\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u307e\u3059\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u5206\u89e3\u53cd\u5fdc\u3092\u8a73\u7d30\u306b\u89e3\u6790\u3059\u308b\u3053\u3068\u304c\u53ef\u80fd\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u4e00\u65b9\u3001ReaxFF\u306f\u529b\u5834\u306e\u4f5c\u6210\u304c\u96e3\u3057\u3044\u3068\u3044\u3046\u8ab2\u984c\u304c\u3042\u308a\u307e\u3059\u3002\u305d\u3053\u3067\u3001\u5b66\u7fd2\u6e08\u307f\u306e\u6c4e\u7528\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3067\u3042\u308bPFP\u3092\u7528\u3044\u3066\u540c\u69d8\u306e\u8a08\u7b97\u3092\u884c\u3044\u3001\u7d50\u679c\u306e\u691c\u8a3c\u3092\u884c\u3044\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image aligncenter size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"1000\" height=\"420\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/04\/Fig2-1.png\" alt=\"\" class=\"wp-image-1964\" style=\"width:387px;height:162px\"\/><figcaption class=\"wp-element-caption\">\u56f31: \u30a8\u30dd\u30ad\u30b7\u30e2\u30ce\u30de\u30fc\u306e\u30e2\u30c7\u30eb\u5206\u5b50<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u30e2\u30c7\u30eb\u3068\u8a08\u7b97\u65b9\u6cd5<\/h2>\n\n\n\n<p>\u8a08\u7b97\u306b\u306f\u30a8\u30dd\u30ad\u30b7\u6a39\u8102\u306e\u30e2\u30ce\u30de\u30fc(\u56f3\uff11)15\u5206\u5b50\u304b\u3089\u306a\u308b\u69cb\u9020\u30e2\u30c7\u30eb\u3092\u7528\u3044\u307e\u3057\u305f\uff08\u56f32\u53c2\u7167\uff09\u3002NPT\u30a2\u30f3\u30b5\u30f3\u30d6\u30eb\u306b\u3088\u308b\u5e73\u8861\u5316\u3092\u884c\u3063\u305f\u7d50\u679c\u3001\u7cfb\u306e\u5bc6\u5ea6\u306f0.95 g\/cm\u00b3\u3067\u3057\u305f\u3002\u3053\u306e\u5024\u306f\u5b9f\u9a13\u3001\u304a\u3088\u3073\u3001ReaxFF\u306b\u3088\u308b\u5148\u884c\u7814\u7a76\u306e\u7d50\u679c\u3068\u4e00\u81f4\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p>\u305d\u306e\u5f8c\u3001NVT\u30a2\u30f3\u30b5\u30f3\u30d6\u30eb\u3092\u7528\u3044\u3066\u6e29\u5ea6\u3092\u4e0a\u6607\u3055\u305b\u308b\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u884c\u3044\u3001\u71b1\u5206\u89e3\u53cd\u5fdc\u306b\u5bfe\u3059\u308b\u6e29\u5ea6\u6761\u4ef6\u306e\u5f71\u97ff\u3092\u8a55\u4fa1\u3057\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image aligncenter size-full is-resized\"><img decoding=\"async\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/04\/Fig3.png\" alt=\"\" class=\"wp-image-1963\" style=\"width:289px;height:auto\"\/><figcaption class=\"wp-element-caption\">\u56f32: \u30a8\u30dd\u30ad\u30b7\u30e2\u30ce\u30de\u30fc\u5206\u5b50\u306e\u5145\u586b\u69cb\u9020<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b<\/h2>\n\n\n\n<p>\u56f3\uff13\u306b\u7d4c\u904e\u6642\u9593\u306b\u5bfe\u3059\u308b\u30bb\u30eb\u5185\u306e\u5206\u5b50\u306e\u500b\u6570\u3092\u793a\u3057\u307e\u3059\u3002\u6700\u7d42\u6e29\u5ea6T<sub>end<\/sub>\uff1d2300 K\u306e\u7d50\u679c(\u56f33(a)\uff09\u304b\u3089\u30012000 K\u4ed8\u8fd1\u304b\u3089\u30a8\u30dd\u30ad\u30b7\u6a39\u8102\u306e\u5206\u5b50\u6570\u304c\u6e1b\u5c11\u3057\u3001\u305d\u306e\u5f8c\u306b\u5c0f\u5206\u5b50\u304c\u751f\u6210\u3059\u308b\u3053\u3068\u304c\u5206\u304b\u308a\u307e\u3059\u3002\u3053\u308c\u306f\u3001\u307e\u305a\u30a8\u30fc\u30c6\u30eb\u7d50\u5408\u306e\u89e3\u96e2\u304c\u8d77\u3053\u308a\u3001\u305d\u306e\u5f8c\u306b\u71b1\u5206\u89e3\u304c\u8d77\u3053\u308b\u3053\u3068\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002\u5c0f\u5206\u5b50\u306e\u751f\u6210\u306f\u3001CH<sub>2<\/sub>O\u3001CO\u3001CH<sub>4<\/sub>\u306e\u9806\u306b\u8d77\u3053\u3063\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p>\u3088\u308a\u9ad8\u6e29\u306eT<sub>end<\/sub>=4300 K\u306e\u5834\u5408\u30012000 K\u4ee5\u4e0a\u306b\u304a\u3044\u3066H<sub>2<\/sub>\u3001CO\u3001H<sub>2<\/sub>O\u304c\u751f\u6210\u3057\u3066\u3044\u307e\u3059\uff08\u56f33(b)\uff09\u3002T<sub>end<\/sub>=2300 K\u306e\u7d50\u679c\u306b\u5bfe\u3057\u3066\u3001\u3088\u308a\u5c0f\u3055\u306a\u5206\u5b50\u306b\u307e\u3067\u5206\u89e3\u304c\u3059\u3059\u3080\u3053\u3068\u304c\u5206\u304b\u308a\u307e\u3059\u3002<br>\u3053\u306e\u7d50\u679c\u306f\u5148\u884c\u7814\u7a76\u3068\u4e00\u81f4\u3057\u3001PFP\u304c\u6709\u6a5f\u5316\u5b66\u53cd\u5fdc\u3092\u7cbe\u5ea6\u826f\u304f\u8a08\u7b97\u3067\u304d\u308b\u3053\u3068\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image aligncenter size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"391\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/04\/Fig4-1-1024x391.png\" alt=\"\" class=\"wp-image-1966\"\/><figcaption class=\"wp-element-caption\">\u56f33: MD\u7d4c\u904e\u6642\u9593\u306b\u5bfe\u3059\u308b\u5206\u5b50\u6570\u306e\u5909\u5316\u3002\u521d\u671f\u6e29\u5ea6 <em>T<\/em><sub>begin<\/sub>=300 K\u3001\u6607\u6e29\u30ec\u30fc\u30c8 <em>r<\/em> = 500 K\/ps\u306b\u3064\u3044\u3066\u6700\u7d42\u6e29\u5ea6 <em>T<\/em><sub>end<\/sub>\u306e\u5f71\u97ff\u3092\u793a\u3059\uff1a(a) \u4f4e\u6e29\u6761\u4ef6 <em>T<\/em><sub>end<\/sub> = 2300 K\u3001(b) \u9ad8\u6e29\u6761\u4ef6<em>T<\/em><sub>end<\/sub> = 4300 K\u3002<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u6761\u4ef6<\/h2>\n\n\n\n<figure class=\"wp-block-image aligncenter size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"392\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/04\/\u753b\u50cf6-3-1024x392.png\" alt=\"\" class=\"wp-image-1970\"\/><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<h2 class=\"wp-block-heading\">\u53c2\u8003\u6587\u732e<\/h2>\n\n\n<small>[1] Diao, Z.; Zhao, Y.; Chen, B.; Duan, C.; Song, S. Journal of Analytical and Applied Pyrolysis 2013, 104, 618-624<\/small>\n\n\n<p><\/p>\n","protected":false},"featured_media":1983,"template":"","meta":{"_acf_changed":false},"calculation_category":[23],"class_list":["post-1969","calculation","type-calculation","status-publish","has-post-thumbnail","hentry","calculation_category-polymers"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation\/1969","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\/1983"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=1969"}],"wp:term":[{"taxonomy":"calculation_category","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation_category?post=1969"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}