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Updated: Aug 9, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Combinatorics and Statistical Mechanics of Integer Partitions
1Department of Chemical Engineering, Pennsylvania State University, State College, PA 16801, USA.
Abstract:
We study the set of integer partitions as a probability space that generates distributions and, in the asymptotic limit, obeys thermodynamics. We view ordered integer partition as a configuration of cluster masses and associate them with the distribution of masses it contains. We organized the set of ordered partitions into a table that forms a microcanonical ensemble and whose columns form a set of canonical ensembles. We define a functional of the distribution (selection functional) that establishes a probability measure on the distributions of the ensemble, study the combinatorial properties of this space, define its partition functions, and show that, in the asymptotic limit, this space obeys thermodynamics. We construct a stochastic process that we call exchange reaction and used it to sample the mean distribution by Mote Carlo simulation. We demonstrated that, with appropriate choice of the selection functional, we can obtain any distribution as the equilibrium distribution of the ensemble.
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