Mechanistic modelling of polymer pyrolysis using monte carlo methods

C. Libanati; L. Broadbelt; C. Lamarca; M. T. Klein; S. M. Andrews; R. J. Cotter

doi:10.1080/08927029308022508

Mechanistic modelling of polymer pyrolysis using monte carlo methods

C. Libanati, L. Broadbelt, C. Lamarca, M. T. Klein, S. M. Andrews, R. J. Cotter

Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

Reaction modelling techniques using Monte Carlo Simulation are applied to the reactions of poly (arylether sulfones). We find that structure, reactions and diffusions may be described quantitatively in terms of a dynamic reaction lattice.

Original language	English (US)
Pages (from-to)	187-204
Number of pages	18
Journal	Molecular Simulation
Volume	11
Issue number	2-4
DOIs	https://doi.org/10.1080/08927029308022508
State	Published - Oct 1 1993

ASJC Scopus subject areas

General Chemistry
Information Systems
Modeling and Simulation
General Chemical Engineering
General Materials Science
Condensed Matter Physics

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10.1080/08927029308022508

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title = "Mechanistic modelling of polymer pyrolysis using monte carlo methods",

abstract = "Reaction modelling techniques using Monte Carlo Simulation are applied to the reactions of poly (arylether sulfones). We find that structure, reactions and diffusions may be described quantitatively in terms of a dynamic reaction lattice.",

author = "C. Libanati and L. Broadbelt and C. Lamarca and Klein, {M. T.} and Andrews, {S. M.} and Cotter, {R. J.}",

year = "1993",

month = oct,

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doi = "10.1080/08927029308022508",

language = "English (US)",

volume = "11",

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journal = "Molecular Simulation",

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TY - JOUR

T1 - Mechanistic modelling of polymer pyrolysis using monte carlo methods

AU - Libanati, C.

AU - Broadbelt, L.

AU - Lamarca, C.

AU - Klein, M. T.

AU - Andrews, S. M.

AU - Cotter, R. J.

PY - 1993/10/1

Y1 - 1993/10/1

N2 - Reaction modelling techniques using Monte Carlo Simulation are applied to the reactions of poly (arylether sulfones). We find that structure, reactions and diffusions may be described quantitatively in terms of a dynamic reaction lattice.

AB - Reaction modelling techniques using Monte Carlo Simulation are applied to the reactions of poly (arylether sulfones). We find that structure, reactions and diffusions may be described quantitatively in terms of a dynamic reaction lattice.

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U2 - 10.1080/08927029308022508

DO - 10.1080/08927029308022508

M3 - Article

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VL - 11

SP - 187

EP - 204

JO - Molecular Simulation

JF - Molecular Simulation

IS - 2-4

ER -

Mechanistic modelling of polymer pyrolysis using monte carlo methods

Abstract

ASJC Scopus subject areas

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