冯黄河,顾雪萍,冯连芳,王登飞,杨国兴,高宇新,张才亮

• 1:化学工程联合国家重点实验室(浙江大学)浙江大学化学工程与生物工程学院
• 2:浙江大学衢州研究院
• 3:中国石油天然气股份有限公司大庆化工研究中心

摘要(Abstract)：

烯烃共聚物的分子质量分布(MWD)和短链支化分布(SCBD)可通过凝胶渗透色谱和红外检测器联用进行表征，MWD和SCBD的去卷积对反应动力学特性分析和动力学参数估计具有重要作用。基于微观结构瞬时分布方法提出了一种MWD和SCBD的同步去卷积方法，对比阐述了MWD单独去卷积、MWD和SCBD分步和同步去卷积3类方法，通过解析模拟生成的微观结构数据和实际样品的表征结果，比较了分步和同步去卷积方法。结果表明，同步去卷积方法应用于模拟生成的微观结构数据时能更为高效、准确地还原已知的原始特征参数；应用于实际样品表征结果时能得到更具物理意义和规律性变化的可靠特征参数。

关键词(KeyWords)： 烯烃共聚物;分子质量分布;短链支化分布;去卷积方法

Abstract:

Keywords:

基金项目(Foundation): 国家重点研发计划(2017YFE0106700)

作者(Author): 冯黄河,顾雪萍,冯连芳,王登飞,杨国兴,高宇新,张才亮

参考文献(References)：

• [1] SOARES J B P, MCKENNA T F L. Polyolefin reaction engineering[M]. Weinheim:Wiley-VCH, 2012.
• [2] TIAN Z, CHEN K R, LIU B P, et al. Short-chain branching distribution oriented model development for Borstar bimodal polyethylene process and its correlation with product performance of slow crack growth[J]. Chemical Engineering Science, 2015,130:41-55.
• [3] THOMPSON D E, MCAULEY K B, MCLELLAN P J. Exploring reaction kinetics of a multi-site Ziegler-Natta catalyst using deconvolution of molecular weight distributions for ethylene-hexene copolymers[J]. Macromolecular Reaction Engineering, 2007,1(2):264-274.
• [4] AL-SALEH M A, SOARES J B P, DUEVER T A. The integrated deconvolution estimation model:A parameter estimation method for ethylene/α-olefin copolymers made with multiple-site catalysts[J]. Macromolecular Reaction Engineering, 2010, 4(9/10):578-590.
• [5] AL-SALEH M A, SOARES J B P, DUEVER T A. The integrated deconvolution estimation model:Estimation of reactivity ratios per site type for ethylene/1-butene copolymers made with a heterogeneous Ziegler-Natta catalyst[J]. Macromolecular Reaction Engineering, 2011, 5(11/12):587-598.
• [6] CHENG X P, FENG L F, GU X P, et al. Modeling of sequence length distribution for olefin copolymerization with vanadium-based catalyst[J]. AIChE Journal, 2020, 66(1):e16784.
• [7] ALGHYAMAH A A, SOARES J B P. Simultaneous deconvolution of the bivariate distribution of molecular weight and chemical composition of polyolefins made with Ziegler-Natta catalysts[J]. Macromolecular Rapid Communications, 2009, 30(4/5):384-393.
• [8] ANANTAWARASKUL S, BONGSONTIA W, SOARES J B P. Simultaneous deconvolution of molecular weight distribution and chemical composition distribution of ethylene/1-olefin copolymers synthesized with multiple-site-type catalytic systems[J].Macromolecular Symposia, 2009, 282(1):167-174.
• [9] ALGHYAMAH A A, SOARES J B P. Simultaneous deconvolution of the molecular weight and chemical composition distribution of polyolefins made with Ziegler-Natta catalysts[J]. Macromolecular Symposia, 2009, 285(1):81-89.
• [10] NANTHAPOOLSUB U, ANANTAWARASKUL S, SAENGKHAMKHOM K. Simultaneous deconvolution of MWD and CCD of ethylene/1-olefin copolymers using genetic algorithm[J]. Macromolecular Symposia, 2013, 330(1):142-149.
• [11] HORNCHAIYA C, ANANTAWARASKUL S, SOARES J B P, et al. Simultaneous deconvolution of the bivariate molecular weight and chemical composition distribution of ethylene/1-hexene copolymers[J]. Macromolecular Chemistry and Physics, 2019, 220(6):1800522.
• [12] CHEN K R, MEHDIABADI S, LIU B P, et al. Analysis of ethylene/1-olefin copolymers made with Ziegler-Natta catalysts by deconvolution of molecular weight and average short chain branching distributions[J]. Macromolecular Reaction Engineering,2016, 10(3):206-214.
• [13] TOULOUPIDIS V, ALBRECHT A, SOARES J B P. A methodology for estimating kinetic parameters and reactivity ratios of multi-site type catalysts using polymerization, fractionation and spectroscopic techniques[J]. Macromolecular Reaction Engineering, 2018, 12(2):1700056.