Implementing an“Impracticable”Copolymerization to Fabricate a Desired Polymer Precursor for N-doped Porous Carbons

作     者：Shi-Chao Qi Xiao-Jie Lu Yin-Cong Lou Rui Zhou Ding-Ming Xue Xiao-Qin Liu Lin-Bing Sun Shi-Chao Qi;Xiao-Jie Lu;Yin-Cong Lou;Rui Zhou;Ding-Ming Xue;Xiao-Qin Liu;Lin-Bing Sun

作者机构：State Key Laboratory of Materials-Oriented Chemical EngineeringJiangsu National Synergetic Innovation Center for Advanced Material(SICAM)College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China 

出 版 物：《Engineering》 (工程（英文）)

年 卷 期：2022年第16卷第9期

页      面：154-161页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：the National Natural Science Foundation of China(22178163,21808105,21722606,21878149,and 22078155) the Natural Science Foundation of Jiangsu Province(BK20180709) the National Science Fund for Distinguished Young Scholars(22125804) 

主　　题：Solvent-free method Solvent effect Copolymerization N-doped porous carbon 

摘      要：It is common that a proof-of-concept of a desired reaction,which might generate materials with new functions or application potential,is eventually proved impracticable or commercially *** efforts have been made but wasted in searching for unknown reaction conditions in solvent environments because it was believed that the activity of reactants can be enhanced to facilitate reactions by dissolving them in ***,an abnormal case was discovered in this study.A desired copolymerization reaction between 1,3,5-tris(chloromethyl)-2,4,6-trimethylbenzene and melamine was confirmed to be impracticable under various solvent conditions;however,it was successfully implemented using a solvent-free *** first-principle calculations and molecular dynamics simulations,two decisive factors that the reaction in solvents cannot possess,namely the reaction equilibrium being pushed by the timely release of by-products and the confined thermal motions of the activated monomer molecules in the solid phase,were demonstrated to make the copolymerization successful in the solvent-free *** to the high aromaticity and azacyclo-content,the as-synthetic copolymer exhibited good application potential as a precursor to fabricate N-doped porous carbons with satisfactory carbon yields,ideal N contents,desired textural properties,and competitive CO_(2)capture abilities compared to other representative counterparts reported recently.