eMoM: Exact method of moments-Nucleation and size dependent growth of nanoparticles

被引:21
作者
Pflug, Lukas [1 ,2 ]
Schikarski, Tobias [3 ]
Keimer, Alexander [4 ]
Peukert, Wolfgang [3 ]
Stingl, Michael [2 ]
机构
[1] Friedrich Alexander Univ Erlangen Nurnberg FAU, Cent Inst Sci Comp ZISC, Martensstr 5a, D-91058 Erlangen, Germany
[2] Friedrich Alexander Univ Erlangen Nurnberg FAU, Dept Math, Chair Appl Math Continuous Optimizat, Cauerstr 11, D-91058 Erlangen, Germany
[3] Friedrich Alexander Univ Erlangen Nurnberg FAU, Inst Particle Technol LFG, Cauerstr 4, D-91058 Erlangen, Germany
[4] Univ Calif Berkeley, ITS, 109 McLaughlin Hall,MC1720, Berkeley, CA 94720 USA
关键词
Population balance equation; Method of moments; Fixed point equation; Integral equation; Nucleation; Growth; Crystallization; Nanoparticle; Nonlocal conservation laws; POPULATION BALANCES; CRYSTALLIZATION; REGULARITY; UNIQUENESS; EXISTENCE; EQUATION; LAWS;
D O I
10.1016/j.compchemeng.2020.106775
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
In this study we present a reformulation for a broad class of population balance equations that model nucleation and size dependent growth. This formulation enables the definition of new numerical methods, which have two advantages compared to existing schemes in the literature (e.g. finite volume type methods and methods based on the evolution of moments): i) higher precision due to non-smoothing and ii) less run-time in comparison to finite volume algorithms of equivalent accuracy. The described formulation represents the solution of the considered balance equation in terms of the solution of a scalar integral equation, which can then be exploited to establish efficient numerical solvers. The computation of a solution of an initial boundary value problem in space-time is thus reduced to a scalar integral equation, which considerably reduces the computational effort required for its approximation. The integral equation describes the exact evolution of the third moment of the solution, justifying the name for this method: the exact method of moments (eMoM). (C) 2020 Elsevier Ltd. All rights reserved.
引用
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页数:8
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