期刊
MACROMOLECULAR THEORY AND SIMULATIONS
卷 22, 期 2, 页码 89-106出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mats.201200048
关键词
convolution; Gaussian basis function; molecular weight distribution; population balance equation
资金
- EU [PITN-GA-2009-238700]
The mathematical treatment of polymer modification systems, described by population balances containing convolution is discussed. The two-dimensional case (molecular weight vs. number of branch points) was considered by utilizing approximations of distributions, expanding them in terms of Gaussian basis functions. Three branching reactions were addressed: chain backbone to chain end point coupling; three-functional coupling of chain ends; and crosslinking. The results were compared to those of Monte Carlo (MC) simulations. Good agreement was observed, although the quality of a distribution as generated by the numerical approach is much better in view of the strong scatter in the MC data.
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