An antiempirical strategy:sacrificing aromatic moieties in the polymer precursor for improving the properties of the derived N-doped porous carbons  

作　　者：Shi-Chao Qi Ding-Ming Xue Guo-Xing Yu Rong-Rong Zhu Xiao-Qin Liu Lin-Bing Sun 

机构地区：[1]State Key Laboratory of Materials-Oriented Chemical Engineering,Jiangsu National Synergetic Innovation Center for Advanced Material(SICAM),College of Chemical Engineering,Nanjing Tech University,Nanjing,211816,China

出　　处：《Green Chemical Engineering》2020年第1期70-76,共7页绿色化学工程（英文）

基　　金：the Natural Science Foundation of Jiangsu Province(BK20180709);the National Natural Science Foundation of China(21808105,21676138,21722606,21878149,and 21808110)。

摘　　要：With the carbonization at an elevated temperature,high aromaticity of a precursor for porous carbons was traditionally thought to be crucial for the resultant perfect textural properties and ideal application performances of the porous carbons.Thus,many efforts have been done to search or to artificially prepare the polymer precursors with higher aromaticity to generate more satisfying porous carbons.However,an antiempirical case was found in this study.The copolymerization between 1,3,5-tris(chloromethyl)-2,4,6-trimethylbenzene(TCM)and cyclohexane-1,4-diamine was successfully implemented to get a polymer code-named NUT-40,in which half of the ring structures are nonaromatic,while N-doped porous carbons(NDPCs)with better textural properties(e.g.,SBET=1363 m^(2)g^(-1)for NDPC-600)and competitive CO_(2)capture abilities(e.g.,CO_(2)capacity=4.3 mmol g^(-1)at 25℃and 1 bar for NDPC-600)were generated from the NUT-40,compared with the NDPC counterparts derived from the NUT-4 in a previous study(e.g.,SBET=958 m^(2)g^(-1)and CO_(2)capacity=3.8 mmol g^(-1)at 25℃and 1 bar for NDPC-600),in which TCM and ursol were employed as the monomers instead,and thus the ring structures in the NUT-4 was fully aromatic.With first-principle and molecular dynamics simulations,it was demonstrated that the embryo pore structure in the NUT-40 molecule can be more easily maintained during the carbonization than that of the NUT-4,which finally improves the surface area and porosity of the NUT-40 generated NDPCs.

关 键 词：COPOLYMER AROMATICITY PYROLYSIS Carbon capture N-doped porous carbon 

分 类 号：TQ127.11[化学工程—无机化工]