Applying Multidimensional Method of Moments for Modeling and Estimating Parameters for Arborescent Polyisobutylene Production in Batch Reactor. Issue 1 (6th July 2016)

• Record Type: Journal Article
• Authors: Zhao, Yutian R.; Arriola, Daniel J.; Puskas, Judit E.; McAuley, Kimberley B.
• Is Part Of: Macromolecular theory and simulations. Volume 26:Issue 1(2017)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2016-07-06
• Subjects: branched -- carbocationic polymerization -- mathe­matical model -- method of moments -- molecular weight; Macromolecules -- Periodicals; Polymers -- Periodicals; Polymerization -- Periodicals; Macromolécules -- Périodiques; 547.705
• DOI: 10.1002/mats.201600004
• Languages: English
• ISSNs: 1022-1344

Abstract

Abstract : Multidimensional method of moments is used to track molecular weight development and end groups in an arborescent polyisobutylene system. Simulation results agree with Monte Carlo simulations. The method enables parameter estimation using extra M ¯ w data to obtain improved model fit to data. Abstract : A mathematical model is developed for the arborescent poly­isobutylene system in a batch reactor, using multidimensional method of moments, to predict the concentrations of monomer and inimer as well as number and weight average molecular weight. This model is significantly efficient in computation, making parameter estimation practical. Simulation results agree with results obtained by Monte Carlo simulations. Parameter estimation results show that using the weight average molecular weight data provide better overall fit than leaving them out in the previous model.