化工学报2025，Vol.76Issue(2)：879-887,9.DOI:10.11949/0438-1157.20241253
面向立体异构的丁二烯乳液聚合过程模型化
Modeling of butadiene emulsion polymerization process for stereoisomerization
摘要
Abstract
The stereoisomer ratios affect the product properties of emulsion polymerized butadiene.The emulsion polymerization process of butadiene was studied in a reaction calorimeter with potassium persulfate as initiator and sodium abietic acid/potassium laurate/sodium alkyl naphthalene sulfonate as emulsifier at reaction temperature of 65-75℃ and initiator feeding ratio(the mass of initiator added to every 100 units of mass of monomer)of 0.35％—1.38％.The rigorous process mechanism model for emulsion polymerization by free radicals is established,and the parameters were adjusted using the conversion data.The chain growth activation energies of 1,4-cis,1,4-trans and 1,2-vinyl were 39.10,38.50 and 13.20 kJ/mol,respectively.The pre-exponential factors were 28.37,23.90 and 11.70 L/(mol·s),respectively,and the model could predict the stereoisomer ratios within the error range.The simulation results show that the stereoisome changes with the reaction time,and the significant change of the stereoisomer ratio occurs at the beginning of the reaction.After the conversion rate reaches 20％,the three stereoisomer ratios tend to be stable.The proportion of 1,4-cis and 1,4-trans increased,and the proportion of 1,2-vinyl decreased with increasing temperature.The stereoisomer ratios are insensitive to initiator feeding ratio.关键词
立体异构/聚丁二烯/乳液/自由基/动力学模型Key words
stereoisomerization/polybutadiene/emulsions/radical/kinetic modeling分类
化学化工引用本文复制引用
吴雨轩,常诚,顾雪萍,冯连芳,张才亮..面向立体异构的丁二烯乳液聚合过程模型化[J].化工学报,2025,76(2):879-887,9.基金项目
浙江省高端化学品技术创新中心项目 （）
