Accuracy and optimal sampling in Monte Carlo solution of population balance equations


Implementation of a Monte Carlo simulation for the solution of population balance equations (PBEs) requires choice of initial sample number (N0), number of replicates (M), and number of bins for probability distribution reconstruction (n). It is found that Squared Hellinger Distance, H2, is a useful measurement of the accuracy of Monte Carlo (MC) simulation, and can be related directly to N0, M, and n. Asymptotic approximations of H2 are deduced and tested for both one-dimensional (1-D) and 2-D PBEs with coalescence. The central processing unit (CPU) cost, C, is found in a power-law relationship, C= aMNb0, with the CPU cost index, b, indicating the weighting of N0 in the total CPU cost. n must be chosen to balance accuracy and resolution. For fixed n, M × N0 determines the accuracy of MC prediction; if b > 1, then the optimal solution strategy uses multiple replications and small sample size. Conversely, if 0 < b < 1, one replicate and a large initial sample size is preferred.

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Divisions: College of Engineering & Physical Sciences > School of Infrastructure and Sustainable Engineering > Chemical Engineering & Applied Chemistry
College of Engineering & Physical Sciences > Energy and Bioproducts Research Institute (EBRI)
Additional Information: This is the peer reviewed version of the following article: Yu, X., Hounslow, M. J., & Reynolds, G. K. (2015). Accuracy and optimal sampling in Monte Carlo solution of population balance equations. AIChE Journal, 61(8), 2394-2402, which has been published in final form at This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving
Uncontrolled Keywords: accuracy,coalescence,hellinger distance,Monte Carlo,optimal sampling,population balance model,Chemical Engineering(all),Biotechnology,Environmental Engineering
Publication ISSN: 1547-5905
Last Modified: 08 Dec 2023 09:59
Date Deposited: 11 Aug 2015 09:20
Full Text Link: http://onlineli ... .14837/abstract
Related URLs: http://www.scop ... tnerID=8YFLogxK (Scopus URL)
PURE Output Type: Article
Published Date: 2015-08
Published Online Date: 2015-04-22
Authors: Yu, Xi (ORCID Profile 0000-0003-3574-6032)
Hounslow, Michael J.
Reynolds, Gavin K.



Version: Accepted Version

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