超支化含苯基聚硅氧烷亲CO2特性及分子模拟  

CO2-philic properties of hyperbranched phenyl-containing polysiloxanes with molecular simulation

作　　者：陈睿[1] 范宏[1] CHEN Rui;FAN Hong(State Key Laboratory of Chemical Engineering,Institute of Polymer and Polymerization Engineering,College of Chemical and Biological Engineering,Zhejiang University,Hangzhou 310027,Zhejiang,China)

机构地区：[1]浙江大学化学工程与生物工程学院聚合与聚合物工程研究所化学工程联合国家重点实验室,浙江杭州310027

出　　处：《精细化工》2020年第6期1282-1288,共7页Fine Chemicals

摘　　要：通过水解缩聚法制备了含有不同苯基含量的超支化聚硅氧烷,考察了苯基的引入对超支化聚合物在CO2中溶解性能的影响。浊点压力测试得出,苯基的引入在超支化结构中对聚合物在CO2中的溶解度影响不大,超支化聚合物中苯基含量的增加没有导致浊点压力的明显升高,有望实现作为CO2增稠剂兼具较好的溶解度和增稠性能。分子模拟计算分析了超支化聚硅氧烷和直链聚硅氧烷与CO2分子间的相互作用以及超支化聚硅氧烷分子间的相互作用,发现含苯基的超支化聚硅氧烷具有更低的内聚能密度(CED)和溶解度参数(δ),表现出更弱的聚合物分子间相互作用,有利于超支化有机硅氧烷在CO2体系中的溶解。Hyperbranched polysiloxanes with different phenyl contents were prepared by hydrolytic polycondensation.The effect of phenyl on the solubility of hyperbranched polymers in CO2 was investigated.The cloud point pressure test showed that the introduction of phenyl in hyperbranched structure had little effect on the solubility of polymer in CO2,while the increase of phenyl content in hyperbranched polymer did not cause a significant increase of cloud point pressure,which is expected to achieve good solubility and thickening performance as a CO2 thickener.The interaction between hyperbranched polysiloxane,linear polysiloxane and CO2 molecules,as well as the interaction between hyperbranched polysiloxane molecules were calculated and analyzed by molecular simulation calculation.The results showed that the hyperbranched phenyl-containing polysiloxanes possessed lower cohesive energy density(CED)and solubility parameter(δ),and exhibited a weaker intermolecular interaction of polymers,which is beneficial to the dissolution of hyperbranched polysiloxane in CO2.

关 键 词：超支化聚硅氧烷 CO2亲和性 CO2增稠剂 分子模拟 油田化学品 

分 类 号：O631.3[理学—高分子化学]