文献类型：期刊文献

英文题名：H2SO4-catalyzed isobutane alkylation under low temperatures promoted by long-alkyl-chain surfactant additives

作者：Zheng, Weizhong[1];Wang, Zhen[1];Sun, Weizhen[1];Zhao, Ling[1,2];Qian, Feng[3]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]XinJiang Univ, Sch Chem & Chem Engn, Urumqi, Peoples R China;[3]East China Univ Sci & Technol, Minist Educ, Key Lab Adv Control & Optimizat Chem Proc, Shanghai, Peoples R China

年份：2021

卷号：67

期号：10

外文期刊名：AICHE JOURNAL

收录：;EI(收录号：20212510518650);WOS:【SCI-EXPANDED(收录号:WOS:000661947200001)】；

基金：The financial support by the fellowship of China Postdoctoral Science Foundation (2020M681205, 2021 T140205), National Natural Science Foundation of China (22008065 and 61988101), National Natural Science Foundation of China (Basic Science Center Program: 61988101), National Science Fund for Distinguished Young Scholars (61925305), and 111 project (B20031) are gratefully acknowledged.

语种：英文

外文关键词：H2SO4 alkylation; liquid; liquid interface; MD simulations; surfactants

摘要：To deeply understand the role of surfactants on the acid/C4 hydrocarbon miscibility, the catalytic activity and molecular-level interfacial properties of long-alkyl-chain cationic surfactants (hexadecyltrimethylammonium bromide, CATB and dihexadecyldimethylammoniumchloride, DDAB) and anionic one (sodium dodecyl benzene sulfonate, SDBS) were studied as additives for H2SO4 alkylation using experiments and molecular dynamics simulations. Surfactant additives are found to efficiently decrease by-products and promote higher selectivity of trimethylpentanes (TMPs) and higher research octane number (RON), which is attributed to the improvement of acid/hydrocarbons interface, including better interfacial dispersion, higher I/O ratio, and lower interfacial tension. Surfactant additives show an interfacial intensification, quite different from intrinsic reaction intensification by low temperature. Combination of SDBS additive and lower temperature contributes to significantly higher TMP selectivity and higher RON up to 84.20 wt% and 99.07 at 269.2 K from 60.21 wt% and 94.34 at 281.2 K, respectively. The information provides good reference for the industrial H2SO4 alkylation.