{"id":205285,"date":"2020-07-13T06:30:23","date_gmt":"2020-07-12T22:30:23","guid":{"rendered":"\/\/m.iemloyee.com\/?p=205285"},"modified":"2020-07-12T22:48:19","modified_gmt":"2020-07-12T14:48:19","slug":"%e3%80%90%e6%8a%95%e7%a8%bf%e3%80%91%e5%9b%bd%e4%ba%a7%e6%9c%9f%e5%88%8agreen-energy-environ-%ef%bc%9a%e9%9d%a2%e5%90%91%e7%a9%ba%e6%b0%94%e4%b8%ad%e5%be%ae%e9%87%8f%e7%94%b2%e9%86%9b%e6%8d%95","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=205285","title":{"rendered":"\u56fd\u4ea7\u671f\u520aGreen Energy Environ.\uff1a\u9762\u5411\u7a7a\u6c14\u4e2d\u5fae\u91cf\u7532\u919b\u6355\u83b7\u7684\u758f\u6c34\u91d1\u5c5e-\u6709\u673a\u6846\u67b6\u7684\u9ad8\u901a\u91cf\u8ba1\u7b97\u548c\u673a\u5668\u5b66\u4e60\u9884\u6d4b"},"content":{"rendered":"

\u80cc\u666f\u4ecb\u7ecd<\/strong><\/p>\n

\u968f\u7740\u5168\u7403\u5de5\u4e1a\u5316\u7684\u53d1\u5c55\uff0c\u7a7a\u6c14\u6c61\u67d3\u8d8a\u6765\u8d8a\u4e25\u91cd\uff0c\u800c\u6325\u53d1\u6027\u6709\u673a\u7269(Volatile Organic Compounds, VOCs)\u88ab\u8ba4\u4e3a\u662f\u4e3b\u8981\u6c61\u67d3\u6e90\u4e4b\u4e00\u3002\u4f5c\u4e3aVOCs\u4e2d\u6700\u5e38\u89c1\u548c\u6700\u5178\u578b\u7684\u4e00\u79cd\u6709\u5bb3\u7269\u8d28\uff0c\u7532\u919b\u5e7f\u6cdb\u5b58\u5728\u4e8e\u6211\u4eec\u7684\u751f\u6d3b\u5f53\u4e2d\uff0c\u4ece\u6d82\u6599\u3001\u5bb6\u5c45\u5230\u5316\u5986\u54c1\u548c\u670d\u9970\u90fd\u4f1a\u5b58\u5728\u4e00\u5b9a\u91cf\u7684\u7532\u919b\u3002\u5373\u4f7f\u662f\u5fae\u91cf\u7684\u7532\u919b\uff0c\u4e5f\u4f1a\u5bf9\u547c\u5438\u9053\u7c98\u819c\u3001\u76ae\u80a4\u3001\u773c\u775b\u7b49\u4ea7\u751f\u523a\u6fc0\uff0c\u751a\u81f3\u4f1a\u5f15\u53d1\u80bf\u7624\u548c\u764c\u75c7\u3002\u5bf9\u4e8eVOCs\u7684\u53bb\u9664\uff0c\u5438\u9644\u6cd5\u5177\u6709\u53cd\u5e94\u6761\u4ef6\u6e29\u548c\uff0c\u53cd\u5e94\u5b8c\u5168\uff0c\u4e8c\u6b21\u6c61\u67d3\u5c0f\u7b49\u4f18\u70b9\uff0c\u56e0\u6b64\u5f97\u5230\u4e86\u5e7f\u6cdb\u5e94\u7528\u3002\u5438\u9644\u5242\u5728\u5438\u9644\u8fc7\u7a0b\u4e2d\u8d77\u51b3\u5b9a\u6027\u4f5c\u7528\uff0c\u758f\u6c34\u578b\u5438\u9644\u5242\u53ef\u4ee5\u907f\u514d\u5728\u6e7f\u73af\u5883\u4e2d\u88ab\u6c34\u5206\u5b50\u4f18\u5148\u5360\u636e\u5438\u9644\u4f4d\u70b9\u4ece\u800c\u5f71\u54cd\u5438\u9644\u6548\u679c\u3002<\/p>\n

\u8fd1\u5e74\u6765\uff0c\u4e00\u7c7b\u88ab\u79f0\u4e3a\u201c\u91d1\u5c5e-\u6709\u673a\u6846\u67b6\uff08MOF\uff09\u201d\u7684\u591a\u5b54\u914d\u4f4d\u805a\u5408\u7269\u6210\u4e3a\u4e86\u65b0\u6750\u6599\u754c\u7684\u7814\u7a76\u70ed\u70b9\uff0c\u53d7\u5230\u4e86\u5b66\u672f\u754c\u7684\u5e7f\u6cdb\u5173\u6ce8\u3002MOF\u7531\u91d1\u5c5e\u79bb\u5b50\u548c\u6709\u673a\u914d\u4f53\u81ea\u7ec4\u88c5\u6784\u6210\uff0c\u9aa8\u67b6\u67d4\u97e7\uff0c\u4e5f\u88ab\u79f0\u4f5c\u201c\u8f6f\u6cb8\u77f3\u201d\uff0c\u4f46\u4e8b\u5b9e\u4e0a\u5b83\u6bd4\u6cb8\u77f3\u7b49\u4f20\u7edf\u7684\u65e0\u673a\u6750\u6599\u62e5\u6709\u66f4\u5927\u7684\u6bd4\u8868\u9762\u79ef\u3001\u5b54\u9699\u7387\u4ee5\u53ca\u5b54\u7ed3\u6784\u529f\u80fd\u5316\u548c\u8bbe\u8ba1\u591a\u6837\u5316\u7684\u6f5c\u529b\u3002\u5176\u7ed3\u6784\u7279\u6027\uff0c\u5305\u62ec\u62d3\u6251\u3001\u5b54\u5f84\u3001\u5f62\u72b6\u548c\u8868\u9762\u5316\u5b66\uff0c\u56e0\u5176\u672c\u8eab\u7684\u79ef\u6728\u6027\u8d28\uff0c\u90fd\u662f\u53ef\u4ee5\u6839\u636e\u5b9e\u9645\u9700\u8981\u8c03\u8282\u7684\u3002MOF\u7684\u7b5b\u9009\u9010\u6e10\u4e0e\u8ba1\u7b97\u673a\u878d\u5408\u5e76\u5e94\u7528\uff0c\u5448\u73b0\u51fa\u4e86\u5b66\u79d1\u4ea4\u53c9\u7684\u8d8b\u52bf\uff0c\u57fa\u4e8e\u5206\u5b50\u6a21\u62df\u548c\u673a\u5668\u5b66\u4e60(ML)\u7684\u9ad8\u901a\u91cf\u8ba1\u7b97\u7b5b\u9009\u5df2\u7ecf\u6210\u4e3a\u4e86\u8bc4\u5224MOF\u6027\u80fd\u6781\u9650\u7684\u4e00\u79cd\u9ad8\u6548\u65b9\u6cd5\uff0c\u901a\u8fc7\u6570\u636e\u6316\u6398\u6280\u672f\u548c\u673a\u5668\u5b66\u4e60\u7b97\u6cd5\u5206\u6790\u548c\u9884\u6d4b\u6750\u6599\u7684\u7ed3\u6784\u6027\u80fd\u89c4\u5f8b\uff0c\u53ef\u4ee5\u7b5b\u9009\u6216\u8bbe\u8ba1\u51fa\u6700\u5177\u6709\u5e94\u7528\u524d\u666f\u7684\u5438\u9644\u6750\u6599\u3002\u5c3d\u7ba1MOF\u5e38\u89c1\u4e8eVOCs\u7684\u5438\u9644\u9886\u57df\uff0c\u4f46\u5f88\u5c11\u6709\u5173\u4e8e\u6355\u83b7\u4f4e\u6d53\u5ea6\u7532\u919b\u7684\u62a5\u9053\u3002<\/p>\n

\u6210\u679c\u7b80\u4ecb<\/strong><\/p>\n

\u9488\u5bf9\u5ba4\u5185\u6216\u8005\u8f66\u5185\u7a7a\u6c14\u4e2d\u7532\u919b\u542b\u91cf\u8d85\u6807\u7684\u95ee\u9898\uff0c\u5e7f\u5dde\u5927\u5b66\u7684\u4e54\u667a\u5a01<\/strong>\u9996\u5148\u4ece137953\u4e2a\u5047\u8bbe\u7684MOFs\u4e2d\u7b5b\u9009\u51fa\u4e8631399\u4e2a\u758f\u6c34\u7684MOFs(hMOFs)\uff0c\u901a\u8fc7\u9ad8\u901a\u91cf\u8ba1\u7b97\u7b5b\u9009\u4e86\u5b83\u4eec\u5bf9\u4e8e\u5fae\u91cf\u7532\u919b(13.41mg\/m3<\/sup>)\u7684\u5438\u9644\u6548\u679c\uff0c\u5373\u5438\u9644\u91cf(N<\/em>HCHO<\/sub>)\u548c\u9009\u62e9\u6027(S<\/em>HCHO\/N2+O2<\/sub>)\uff0c\u5e76\u5f15\u5165\u4e86\u6743\u8861\u503cTSC\u3002\u4f5c\u8005\u5e94\u7528\u4e86\u56db\u79cdML\u65b9\u6cd5(\u5373\u53cd\u5411\u4f20\u64ad\u795e\u7ecf\u7f51\u7edc(BPNN)\uff0c\u652f\u6301\u5411\u91cf\u673a(SVM)\uff0c\u6781\u9650\u5b66\u4e60\u673a(ELM)\u548c\u968f\u673a\u68ee\u6797(RF))\u5bf9\u5212\u5206\u51fa\u6765\u7684\u4e09\u4e2a\u6570\u636e\u96c6(AM\uff0cPN<\/sub><\/em>\u548cPS<\/sub><\/em>)\u7684\u4e09\u4e2a\u6027\u80fd\u6307\u6807(N<\/em>HCHO<\/sub>, S<\/em>HCHO\/N2+O2<\/sub>\u548cTSC)\u8fdb\u884c\u6027\u80fd\u9884\u6d4b\u3002\u4f5c\u8005\u53d1\u73b0\uff0c\u5c31\u9884\u6d4b\u7684\u51c6\u786e\u6027\u800c\u8a00\uff0cPS<\/sub> <\/em>> AM > PN<\/sub><\/em>\uff0cTSC > N<\/em>HCHO<\/sub> > S<\/em>HCHO\/N2+O2<\/sub>\uff0cRF > BPNN > SVM > ELM\uff1bRF\u7b97\u6cd5\u5728PS<\/sub><\/em>\u6570\u636e\u96c6\u4e2d\u5bf9TSC\u8fdb\u884c\u9884\u6d4b\u65f6\uff0c\u80fd\u91cf\u63cf\u8ff0\u7b26\u4ea8\u5229\u7cfb\u6570(K<\/em>HCHO<\/sub>)\u548c\u5438\u9644\u70ed(Q<\/em>0<\/sup>st<\/sub>)\u7684\u76f8\u5bf9\u91cd\u8981\u6027\u6700\u9ad8\uff0c\u5206\u522b\u4e3a40.315%\u548c18.321%\u3002\u4f5c\u8005\u4ee5\u7edf\u8ba1\u6570\u636e\u96c6\u4e2d\u6709\u5e0c\u671b\u7684MOF\u53ca\u6570\u636e\u96c6\u5728\u5404\u63cf\u8ff0\u7b26\u7684\u533a\u95f4\u4e0b\u7684\u4e2a\u6570\u4e3a\u51fa\u53d1\u70b9\uff0c\u5b9a\u91cf\u5730\u5b9a\u4e49\u4e86\u5728\u63cf\u8ff0\u7b26\u8def\u5f84\u4e0b\u5bfb\u627e\u5230\u6700\u4f18\u5438\u9644\u5242\u7684\u6982\u7387\uff0c\u5728PN<\/sub><\/em>\u6570\u636e\u96c6\u4e2d\uff0c\u7531K<\/em>HCHO<\/sub>(0.004-0.008 mol\/kg\/Pa)\u548cQ<\/em>0<\/sup>st<\/sub>(37-46 KJ\/mol)\u7b5b\u9009\u5230\u4f18\u5f02MOF\u7684\u6982\u7387\u5206\u522b\u53ef\u8fbe\u5230100%\u548c77.419%\uff0c\u8fd9\u4e3aMOF\u7684\u5feb\u901f\u7b5b\u9009\u63d0\u4f9b\u4e86\u53ef\u80fd\u3002\u76f8\u5173\u6210\u679c\u4ee5 \u201cMachine Learning and High-Throughput Computational Screening of Hydrophobic Metal-Organic Frameworks for Capture of Formaldehyde from Air\u201d<\/strong> \u53d1\u8868\u4e8e\u56fd\u4ea7\u671f\u520a<\/strong>Green Energy Environ.<\/strong>\u671f\u520a\u4e0a\u3002<\/p>\n

\u56fe\u6587\u5bfc\u8bfb<\/strong><\/p>\n

\u56fe\u4e00\u3001\u56db\u79cd\u7b97\u6cd5\u5bf9PS<\/sub><\/em>\u6570\u636e\u96c6\u7684TSC\u6027\u80fd\u7684\u9884\u6d4b<\/strong><\/p>\n

\"\"<\/p>\n

(a) BPNN\u7b97\u6cd5\uff1b(b)SVM\u7b97\u6cd5\uff1b(c)ELM\u7b97\u6cd5\uff1b(d)RF\u7b97\u6cd5\u3002\u8272\u8c31\u67f1\u7684\u989c\u8272\u4ee3\u8868MOF\u6570\u91cf\u4ee510\u4e3a\u5e95\u7684\u5bf9\u6570\u3002<\/p>\n

\u56fe\u4e8c\u3001<\/strong> \u4ece\u7a7a\u6c14\u4e2d\u5206\u79bb\u7532\u919b\u7684\u516d\u4e2a\u63cf\u8ff0\u7b26\u7684\u6570\u503c\u5206\u5e03<\/strong><\/p>\n

\"\"<\/p>\n

\u5708\u91cc\u7684\u6570\u5b57\u4ee3\u8868MOFs\u7684\u4e2a\u6570\uff1b\u5916\u5708\u4ee3\u8868PN<\/sub><\/em>\u76841461\u4e2aMOFs\uff1b\u5185\u5708\u4ee3\u8868\u5176206\u4e2a\u6709\u5e0c\u671b\u7684MOFs\u3002<\/p>\n

\u56fe\u4e09\u3001<\/strong> \u5404\u6570\u636e\u96c6\u6839\u636e\u516d\u4e2a\u63cf\u8ff0\u7b26\u83b7\u5f97\u4f18\u5f02<\/strong>MOFs<\/strong>\u7684\u6982\u7387<\/strong><\/p>\n

\"\"<\/p>\n

\u5c0f\u7ed3<\/strong><\/p>\n

MOF\u4f5c\u4e3a\u65b0\u4e00\u4ee3\u591a\u5b54\u6750\u6599\u8fd1\u5e74\u6765\u53d7\u5230\u4e86\u5e7f\u6cdb\u5173\u6ce8\uff0c\u5bf9VOC\u6c14\u4f53\u7684\u6355\u83b7\u4e5f\u662f\u5176\u5e94\u7528\u7684\u91cd\u8981\u5206\u652f\uff0c\u4f46\u662f\u9488\u5bf9\u73b0\u5b9e\u4e2d\u6781\u4f4e\u6d53\u5ea6VOC\u7684\u6355\u83b7\u4ecd\u7136\u5177\u6709\u6311\u6218\u3002\u4f5c\u8005\u4ee5\u4ece\u7a7a\u6c14\u4e2d\u6355\u83b7\u4f4e\u6d53\u5ea6\u7532\u919b\u4e3a\u76ee\u6807\uff0c\u901a\u8fc7\u9ad8\u901a\u91cf\u8ba1\u7b97\u7b5b\u9009\uff0c\u673a\u5668\u5b66\u4e60\u7b97\u6cd5\u4ee5\u53ca\u8def\u5f84\u5b9a\u4e49\u76f8\u7ed3\u5408\u7684\u7814\u7a76\u65b0\u601d\u8def\uff0c\u83b7\u5f97\u4e86\u5173\u4e8e\u758f\u6c34MOF\u7ed3\u6784-\u6027\u80fd\u65b9\u9762\u7684\u89c4\u5f8b\uff0c\u5c06\u5bf9\u6e7f\u73af\u5883\u4f4e\u6d53\u5ea6\u7532\u919b\u7684\u5438\u9644\u5242\u8bbe\u8ba1\u63d0\u4f9b\u53ef\u9760\u7684\u53c2\u8003\u548c\u6307\u5bfc\u4f5c\u7528\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Machine Learning and High-Throughput Computational Screening of Hydrophobic Metal-Organic Frameworks for Capture of Formaldehyde from Air (Green Energy Environ., 2020, DOI: 10.1016\/j.gee.2020.06.024)<\/p>\n

\u672c\u6587\u7531\u5e7f\u5dde\u5927\u5b66\u4e54\u667a\u5a01\u6559\u6388\u56e2\u961f\u6295\u7a3f\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"

\u80cc\u666f\u4ecb\u7ecd \u968f\u7740\u5168\u7403\u5de5\u4e1a\u5316\u7684\u53d1\u5c55\uff0c\u7a7a\u6c14\u6c61\u67d3\u8d8a\u6765\u8d8a\u4e25\u91cd\uff0c\u800c\u6325\u53d1\u6027\u6709\u673a\u7269(Volatile Organic Compounds, VOCs)\u88ab\u8ba4\u4e3a\u662f\u4e3b\u8981\u6c61\u67d3\u6e90\u4e4b\u4e00\u3002\u4f5c…<\/p>\n","protected":false},"author":11454,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[],"class_list":["post-205285","post","type-post","status-publish","format-standard","hentry","category-jiedu"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/205285"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/11454"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=205285"}],"version-history":[{"count":3,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/205285\/revisions"}],"predecessor-version":[{"id":205323,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/205285\/revisions\/205323"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=205285"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=205285"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=205285"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}