丙烯腈/丙烯酸甲酯/衣康酸三元共聚物序列结构的MonteCarlo模拟  

Monte Carlo simulation of sequence distribution of acrylonitrile/methyl acrylate/itaconic acid copolymers

作　　者：贾文杰[1] 王成国[1] 孙春峰[1] 

机构地区：[1]山东大学材料科学与工程学院,山东济南250061

出　　处：《合成纤维工业》2004年第6期11-13,共3页China Synthetic Fiber Industry

基　　金：国家自然科学基金会资助项目"863"项目(59783002)。

摘　　要：以丙烯腈(AN)、丙烯酸甲酯(MA)、衣康酸(IA)为共聚单体,合成碳纤维用聚丙烯腈原丝的三元共聚物,利用Monte Carlo法模拟了AN／MA／IA三元共聚物的组成和序列结构,讨论了共聚单体对共聚物分子链序列结构的影响,探讨了增加序列结构均匀性的方案。结果表明:Monte Carlo法可以较为准确的模拟该共聚物的序列结构;AN／MA／IA以98／0.7／1.3的单体配比可以得到序列结构比较理想的共聚物;采取分批加入IA的方法,使共聚物的序列结构均匀性得到提高。Acrylonitrile (AN)/methyl acrylate ( MA)/itaconic acid (IA) ternary copolymer was synthesized to produce polyac-rylonitrile precursor for carbon fiber. The composition and sequence distribution of AN/MA/IA ternary copolymer were studied by Monte Carlo simulation. The effect of copolymer monomer on sequence distribution of copolymer molecular chain was discussed. The measures to improve sequence distribution uniformity were discussed. The results showed that Monte Carlo simulation was an accurate method to simulate copolymer sequence distribution. An AN/MA/IA copolymer with satisfied sequence distribution can be produced as the ratio was 98/0.7/1.3. The sequence distribution uniformity of copolymer can be improved by adding IA in batches.

关 键 词：三元共聚物 衣康酸 序列结构 丙烯酸甲酯 共聚单体 聚丙烯腈原丝 单体配比 CARLO模拟 均匀性 理想 

分 类 号：TQ341[化学工程—化纤工业]