典型文献
High-throughput Screening of Aluminophosphate Zeolites for Adsorption Heat Pump Applications
文献摘要：
Owing to their high porosity,high water sorption capacity,and thermal stability,aluminophosphate(AIPO) zeolites have shown promising applications in adsorption heat pump(AHP) systems to utilize low-temperature waste heat from heat sources.To accelerate the development of new high-efficiency AHP adsorbents,we report a high-throughput grand canonical Monte Carlo(GCMC) approach to predict the heat storage capabilities of 78 known and 84292 hypothetical AIPO zeolites.We employ three evaluation metrics,including water working capacity,energy density,and regenerability,to comprehensively evaluate the performance of these AIPO structures.Finally,we identify 29 promising candidates with water adsorption properties superior to the commercial adsorbent AQSOA-Z02.This is the first study in large-scale screening of AIPO zeolites for water adsorption.The obtained results will provide important guidance toward the experimental discovery of high-performance AIPO zeolites for AHP applications.
文献关键词：
中图分类号：
作者姓名：
SHI Chao;WANG Jiaze;LI Lin;LI Yi
作者机构：
State Key Laboratory of Inorganic Synthesis & Preparative Chemistry,College of Chemistry,Jilin University,Changchun 130012,P.R.China;School of Textile and Clothing,Yancheng Institute of Technology,Yancheng 224051,P.R.China;Electron Microscopy Center,Jilin University,Changchun 130012,P.R.China;International Center of Future Science,Jilin University,Changchun 130012,P.R.China
文献出处：
引用格式：
[1]SHI Chao;WANG Jiaze;LI Lin;LI Yi-.High-throughput Screening of Aluminophosphate Zeolites for Adsorption Heat Pump Applications)[J].高等学校化学研究（英文版）,2022(01):161-166
A类：
Aluminophosphate,Zeolites,aluminophosphate,AIPO,AQSOA,Z02
B类：
High,throughput,Screening,Adsorption,Heat,Pump,Applications,Owing,their,high,porosity,water,capacity,thermal,stability,zeolites,have,shown,promising,applications,adsorption,heat,pump,systems,utilize,low,temperature,waste,from,sources,To,accelerate,development,new,efficiency,adsorbents,we,report,grand,canonical,Monte,Carlo,GCMC,approach,predict,storage,capabilities,known,hypothetical,We,employ,three,evaluation,metrics,including,working,energy,density,regenerability,comprehensively,evaluate,performance,these,structures,Finally,identify,candidates,properties,superior,commercial,This,first,study,large,scale,screening,obtained,results,will,provide,important,guidance,toward,experimental,discovery
AB值：
0.588849
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