Monte Carlo Simulation of Olefin Block Copolymers: Bivariate Distribution of Molecular Weight and Chemical Composition

被引:5
|
作者
Buakrong, Poramet [1 ]
Anantawaraskul, Siripon [1 ,2 ]
Soares, Joao B. P. [3 ]
机构
[1] Kasetsart Univ, Fac Engn, Dept Chem Engn, Ctr Excellence Petrochem & Mat Technol, Bangkok 10900, Thailand
[2] Kasetsart Univ, Ctr Adv Studies Nanotechnol & Its Applicat Chem F, Bangkok 10900, Thailand
[3] Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 1H9, Canada
关键词
chain shuttling polymerization; chemical composition distribution; molecular weight distribution; Monte Carlo simulation; olefin block copolymers; ETHYLENE; FRACTIONATION; BEHAVIOR; KINETICS;
D O I
10.1002/masy.201700060
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
The multi-block structure of olefin block copolymers (OBCs) leads to their unique properties, in contrast to those of traditional polyolefin elastomers. In this work, the detailed bivariate distribution of molecular weight and chemical composition (MWD x CCD) of OBCs is examined using Monte Carlo simulation. The effects of polymerization parameters on the bivariate MWD x CCD are also studied and reported for the first time. This model can be used as a tool to describe how to produce OBCs with desired microstructures by manipulating the polymerization conditions.
引用
收藏
页数:7
相关论文
共 50 条
  • [31] Critical Micelle Concentrations of Block and Gradient Copolymers in Homopolymer: Effects of Sequence Distribution, Composition, and Molecular Weight
    Sandoval, Robert W.
    Williams, Daniel E.
    Kim, Jungki
    Roth, Connie B.
    Torkelson, John M.
    JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 2008, 46 (24) : 2672 - 2682
  • [32] MONTE CARLO INVESTIGATION OF CHEMICAL INHOMOGENEITY IN COPOLYMERS
    SMIDSROD, O
    WHITTING.SG
    MACROMOLECULES, 1969, 2 (01) : 42 - &
  • [33] Monte Carlo study of the molecular-weight distribution of living polymers
    Rouault, Y
    Milchev, A
    PHYSICAL REVIEW E, 1997, 55 (02): : 2020 - 2022
  • [34] Simultaneous Deconvolution of the Bivariate Distribution of Molecular Weight and Chemical Composition of Polyolefins Made with Ziegler-Natta Catalysts
    Alghyamah, Abdulaziz A.
    Soares, Joao B. P.
    MACROMOLECULAR RAPID COMMUNICATIONS, 2009, 30 (4-5) : 384 - 393
  • [35] Use of Markov Chain Monte Carlo Methods in a Bayesian Analysis of the Block and Basu Bivariate Exponential Distribution
    Jorge A. Achcar
    Roseli A. Leandro
    Annals of the Institute of Statistical Mathematics, 1998, 50 : 403 - 416
  • [36] Use of Markov chain Monte Carlo methods in a Bayesian analysis of the Block and Basu bivariate exponential distribution
    Achcar, JA
    Leandro, RA
    ANNALS OF THE INSTITUTE OF STATISTICAL MATHEMATICS, 1998, 50 (03) : 403 - 416
  • [37] Monte Carlo Simulation of the Shear Effects on the Sol-gel Transition of Block Copolymers in Solution
    Li Liangyi
    Li Zhanwei
    Fu Cuiliu
    Sun Zhaoyan
    An Lijia
    Sun Yanbo
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2014, 35 (05): : 1068 - 1074
  • [38] MICROPHASE SEPARATION TRANSITION IN BLOCK COPOLYMERS - A TEST OF LEIBLER THEORY BY MONTE-CARLO SIMULATION
    MINCHAU, B
    DUNWEG, B
    BINDER, K
    POLYMER COMMUNICATIONS, 1990, 31 (09): : 348 - 350
  • [39] A microscopic view of chemical exchange: Monte Carlo simulation of molecular association
    Lippens, G
    Caron, L
    Smet, C
    CONCEPTS IN MAGNETIC RESONANCE PART A, 2004, 21A (01) : 1 - 9
  • [40] Molecular Weight Distribution of Ethylene/1-Olefin Copolymers: Generalized Bimodality Criterion
    Vichitlimaporn, Charut
    Anantawaraskul, Siripon
    Soares, Joao B. P.
    MACROMOLECULAR THEORY AND SIMULATIONS, 2017, 26 (01)