Analytic results on the polymerisation random graph model

Publication date

2018-01-01

Authors

Kryven, IvanORCID 0000-0002-3964-2196ISNI 0000000419490804

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Article
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Abstract

The step-growth polymerisation of a mixture of arbitrary-functional monomers is viewed as a time-continuos random graph process with degree bounds that are not necessarily the same for different vertices. The sequence of degree bounds acts as the only input parameter of the model. This parameter entirely defines the timing of the phase transition. Moreover, the size distribution of connected components features a rich temporal dynamics that includes: switching between exponential and algebraic asymptotes and acquiring oscillations. The results regarding the phase transition and the expected size of a connected component are obtained in a closed form. An exact expression for the size distribution is resolved up to the convolution power and is computable in subquadratic time. The theoretical results are illustrated on a few special cases, including a comparison with Monte Carlo simulations.

Keywords

Connected components, Molecular network, Polymerisation, Random graph, General Chemistry, Applied Mathematics

Citation

Kryven, I 2018, 'Analytic results on the polymerisation random graph model', Journal of Mathematical Chemistry, vol. 56, no. 1, pp. 140-157. https://doi.org/10.1007/s10910-017-0785-1