Calculation of Molecular Weight Distribution from Molecular Weight Moments in Free Radical Polymerization

Crowley, Timothy J.; Choi, Kyu Yong

doi:10.1021/ie960623e

Cited by 88 publications

(57 citation statements)

References 9 publications

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“…(17)- (19)) is in general a notably difficult numerical problem [18]. To deal with the above high-dimensionality problem, several numerical methods have been proposed in the literature to reduce the infinite system of differential equations into a loworder system.…”

Section: Numerical Methods For the Solution Of Pbesmentioning

confidence: 99%

From Molecular to Plant‐Scale Modeling of Polymerization Processes: A Digital High‐Pressure Low‐Density Polyethylene Production Paradigm

et al. 2010

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A generalized multiscale modeling framework is described for the digital simulation of a high-pressure low-density polyethylene (LDPE) tubular reactor. According to the proposed modeling approach, various models describing the complex physical and chemical phenomena at different length and time scales are linked together to assess the effects of reactor operating conditions on the molecular and rheological behavior of LDPE. The molecular properties of LDPE are determined by employing a comprehensive kinetic scheme. On the basis of the postulated kinetic mechanism, detailed population balance equations (PBEs) are derived describing the conservation of the various macromolecular polymer chains. A review of the potential methods for solving the governing PBEs is presented. In addition, a novel kinetic/topology Monte Carlo method to calculate the molecular and topological properties of the highly branched polymer chains and an advanced rheological model for the calculation of the viscoelastic properties of branched polymers in terms of their respective molecular and topological properties are described.

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Section: Numerical Methods For the Solution Of Pbesmentioning

confidence: 99%

From Molecular to Plant‐Scale Modeling of Polymerization Processes: A Digital High‐Pressure Low‐Density Polyethylene Production Paradigm

et al. 2010

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“…As seen from Fig. 1, the monomer conversion curves are relatively close for six of the eight kinetic models considered, whereas two of them, i.e., those published by Ponnuswamy et al [13] and Crowley and Choi [16], respectively, give significantly different conversions. In Table 2.…”

Section: Polymerizationmentioning

confidence: 59%

A Comparison of Variational and Genetic Algorithm Performances in the Optimization of a Polymerization Process

et al. 2008

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The aim of this work is to compare the performances of two well-known methods, Minimum Principle and Genetic Algorithm, in the optimization of the methyl methacrylate polymerization process in solution. In order to select a kinetic model for this process, the published kinetic models were reviewed and compared by simulation in similar operating conditions. Based on the kinetic model proposed by , the temperature profile necessary to attain, in a given reaction time, specified values for monomer conversion, number-average molecular weight and polydispersity index, was calculated. The temperature profiles calculated by the two optimization algorithms are practically identical, but they are obtained with different computational efforts. The results of this comparison are used to draw several conclusions regarding the proficiency of the two methods in the optimization of complex reaction processes.

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“…In most polymeric fluids, polymer chain length is a distribution, which we denote [ ] by and (i=1,∞) the molar concentration of species of length i [4]. The polymer chain length distribution can be described by moments ( ): (6) We are interested in understanding how polymer transport in porous media is affected by in-situ crosslinking reactions.…”

Section: Methods Of Momentsmentioning

confidence: 99%

A Comprehensive and Numerical Modeling of Reactive Polymer Flow in Porous Media

Kootiani¹

2014

IOSRJEN

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-In the present paper, an overall model for the study of a reactive polymer flow across a heterogeneous porous medium is proposed. A moment representation is used to simulate the polymer transport and reaction processes in a two dimensional porous medium. The 2D, multiphase polymer flow model is based on a mass-transport equation for multicomponent species and is coupled with kinetic models of the gelation process using an operator splitting scheme. This model leads to using method of line technique to solve the set of equations.

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Calculation of Molecular Weight Distribution from Molecular Weight Moments in Free Radical Polymerization

Cited by 88 publications

References 9 publications

From Molecular to Plant‐Scale Modeling of Polymerization Processes: A Digital High‐Pressure Low‐Density Polyethylene Production Paradigm

From Molecular to Plant‐Scale Modeling of Polymerization Processes: A Digital High‐Pressure Low‐Density Polyethylene Production Paradigm

A Comparison of Variational and Genetic Algorithm Performances in the Optimization of a Polymerization Process

A Comprehensive and Numerical Modeling of Reactive Polymer Flow in Porous Media

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