论文标题

随机聚集模型的组合溶液的速率方程极限

Rate equation limit for a combinatorial solution of a stochastic aggregation model

论文作者

Leyvraz, Francois

论文摘要

在最近的一系列论文中,声明了所谓的Marcus-卢什尼科夫聚集模型的一种精确组合溶液。在此模型中,最初假定有限数量的聚集体以单体形式存在。在每个时间步骤中,根据某些尺寸依赖性概率选择了两个聚集体,并不可逆地连接以形成较高质量的聚集体。根据所谓的钟形多项式,鉴于所有可能的大小分布的完整概率分布的表达式。在本文中,我们开发了该解决方案的渐近学,以便检查确切的解决方案是否会产生从Smoluchowski方程获得的平均簇尺寸分布的正确表达式。答案令人惊讶地涉及:对于任意反应率的通用情况,它为负,但是对于所谓的{\ em classical \/}速率核,常数,添加剂和乘法性,所获得的解决方案确实是准确的。另一方面,对于乘法核,在组合溶液和精确溶液之间的完整解决方案中发现了差异。这种令人困惑的一致性和分歧模式的原因尚不清楚。需要更好地了解组合解决方案的推导,理解其有效性范围越好。

In a recent series of papers, an exact combinatorial solution was claimed for a variant of the so-called Marcus--Lushnikov model of aggregation. In this model, a finite number of aggregates, are initially assumed to be present in the form of monomers. At each time step, two aggregates are chosen according to certain size-dependent probabilities and irreversibly joined to form an aggregate of higher mass. The claimed result given an expression for the full probability distribution over all possible size distributions in terms of the so-called Bell polynomials. In this paper, we develop the asymptotics of this solution in order to check whether the exact solution yields correct expressions for the average cluster size distribution as obtained from the Smoluchowski equations. The answer is surprisingly involved: for the generic case of an arbitrary reaction rate, it is negative, but for the so-called {\em classical\/} rate kernels, constant, additive and multiplicative, the solutions obtained are indeed exact. On the other hand, for the multiplicative kernel, a discrepancy is found in the full solution between the combinatorial solution and the exact solution. The reasons for this puzzling pattern of agreement and disagreement are unclear. A better understanding of the combinatorial solution's derivation is needed, the better to understand its range of validity.

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