A multi-thread parallel computation method for dynamic simulation of molecular weight distribution of multisite polymerization

被引：10

作者：

Weng, Jinzu ^{[1
]}

Chen, Xi ^{[1
]}

Biegler, Lorenz T. ^{[2
]}

机构：

[1] Zhejiang Univ, Coll Control Sci & Engn, State Key Lab Ind Control Technol, Hangzhou 310027, Zhejiang, Peoples R China

[2] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA

来源：

COMPUTERS & CHEMICAL ENGINEERING | 2015年 / 82卷

基金：

中国国家自然科学基金;

关键词：

Multi-thread parallel computation; Multisite polymerization; Molecular weight distribution; Dynamic simulation; FREE-RADICAL POLYMERIZATION; CHAIN LENGTH DISTRIBUTIONS; MONTE-CARLO-SIMULATION; NUMERICAL INVERSION; OPTIMIZATION; TRANSFORMS; PARADIGM;

D O I：

10.1016/j.compchemeng.2015.05.027

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Molecular weight distribution (MWD) is an important quality index of polymer products. Many methods have been proposed to dynamically simulate the MWD of polymerization, but these methods are normally designed for serial computations. In this paper, a multi-thread parallel computation method was proposed for multisite free-radical polymerization. Analysis of the relationship among different subtasks revealed a combined parallel strategy by fully exploiting the parallel feature of the process. A good performance was obtained to accelerate the dynamic simulation of MWD based on Flory method. We theoretically analyzed the speedup ratio (SR) and parallel efficiency (PE). Results showed that software algorithm and hardware configuration exhibited a good match. The efficiency of the proposed parallel method was presented through industrial slurry processes that used high-density polyethylene (HDPE). (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：55 / 67

页数：13

共 27 条

[1] Dynamic Monte Carlo simulation of ATRP with bifunctional initiators [J].

Al-Harthi, Mamdouh ;

Soares, Joao B. P. ;

Simon, Leonardo C. .

MACROMOLECULAR REACTION ENGINEERING, 2007, 1 (01) :95-105

[2] Dynamic Monte Carlo simulation of atom-transfer radical polymerization [J].

Al-Harthi, Mamdouh ;

Soares, Joao B. R. ;

Simon, Leonardo C. .

MACROMOLECULAR MATERIALS AND ENGINEERING, 2006, 291 (08) :993-1003

[3]

Almasi G.S., 1989, HIGHLY PARALLEL COMP

[4]

Arno MB, 1978, MACROMOLECULES, V11, P774

[5]

Chen X, 2009, COMPUT-AIDED CHEM EN, V27, P873

[6] Parallel calculation methods for molecular weight distribution of batch free radical polymerization [J].

Chen, Zhiqiang ;

Chen, Xi ;

Shao, Zhijiang ;

Yao, Zhen ;

Biegler, Lorenz T. .

COMPUTERS & CHEMICAL ENGINEERING, 2013, 48 :175-186

[7]

Deuflhard P., 1989, Impact of Computing in Science and Engineering, V1, P269, DOI 10.1016/0899-8248(89)90013-X

[8] Parallel computing approaches to sensor network design using the value paradigm [J].

DuyQuang Nguyen ;

Bagajewicz, Miguel J. .

COMPUTERS & CHEMICAL ENGINEERING, 2011, 35 (06) :1119-1134

[9] ESTIMATION OF THE MOLECULAR-WEIGHT DISTRIBUTION IN BATCH POLYMERIZATION [J].

ELLIS, MF ;

TAYLOR, TW ;

GONZALEZ, V ;

JENSEN, KF .

AICHE JOURNAL, 1988, 34 (08) :1341-1353

[10]

Enrique SG, 2010, MACROMOL THEOR SIMUL, V19, P151

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