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Numerical solution methods for large, difficult kinetic master equations

Frankcombe, Terry; Smith, Sean C


The kinetics of gas-phase reactions, including pressure-dependent weak collision and non-equilibrium effects, can be modelled using a master equation. In this paper, we address the practical computational problem of finding solutions to such kinetic master equations. The mathematical structure of the master equation can be utilised to develop a number of specialised numerical techniques that are capable of solving the master equation in the presence of difficult numerics and for large problems....[Show more]

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
Source: Theoretical Chemistry Accounts
DOI: 10.1007/s00214-009-0623-z


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