Non-equilibrium Numerical Model of Homogeneous Condensation in Argon and Water Vapor Expansions

Abstract

A computational approach capable of modeling homogeneous condensation in non-equilibrium environments is presented. The approach is based on the direct simulation Monte Carlo (DSMC) method, extended as appropriate to include the most important processes of cluster nucleation and evolution at the microscopic level. The approach uses a recombination-reaction energy dependent mechanism of the DSMC method for the characterization of dimer formation, and the RRK model for the cluster evaporation. Three-step testing and validation of the model is conducted by (i) comparison of clusterization rates in an equilibrium heat bath with theoretical predictions for argon and water vapor and adjustment of the model parameters, (ii) comparison of the non-equilibrium argon cluster size distributions with experimental data, and (iii) comparison of the nonequilibrium water cluster size distributions with experimental measurements. Reasonable agreement was observed for all three parts of the validation.

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Document Details

Document Type
Technical Report
Publication Date
Feb 05, 2010
Accession Number
ADA516326

Entities

People

  • Ingrid Wysong
  • Micheal Zeifman
  • Ryan Jansen
  • Sergey Gimelsheim
  • Udo Buck

Organizations

  • University of Southern California

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force Research Laboratories
  • Boundary Layer
  • Chemical Reactions
  • Computational Science
  • Energy
  • Energy Transfer
  • Experimental Data
  • Heat Energy
  • Mathematical Models
  • Measurement
  • Molecular Dynamics
  • Phase Transformations
  • Rate Of Formation
  • Recombination Reactions
  • Simulations
  • Thermodynamics
  • Water Vapor

Readers

  • Combustion science or combustion engineering.
  • Computational Modeling and Simulation
  • Quantum Chemistry