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Article
Monte Carlo Simulations of Growth/Decay Rate Constant Ratios for Small Methanol Clusters: Application to Nucleation Data Analysis
AIP Conference Proceedings
  • Barbara N. Hale, Missouri University of Science and Technology
  • Gerald Wilemski, Missouri University of Science and Technology
  • Aaron Viets
Abstract

The Bennett Monte Carlo technique and the potential of van Leeuwen and Smit are used to calculate growth/decay rate constant ratios for small model methanol clusters at 220K, 240K and 260K. Temperature scaling properties of the rate constant ratios are demonstrated at these temperatures. The Monte Carlo results are used to study heat release from subcritical cluster formation in adiabatic nucleation rate measurements and to determine corrected final temperatures and supersaturation ratios for the methanol data of Strey, Wagner, and Schmeling. The corrected T and S values provide experimental rates with improved scaling properties. Nucleation rates are also calculated from the Monte Carlo free energy differences for the model methanol clusters and demonstrate the same scaling.

Meeting Name
19th International Conference on Nucleation and Atmospheric Aerosols, ICNAA (2013: Jun. 23-28, Fort Collins, CO)
Department(s)
Physics
Keywords and Phrases
  • Growth/Decay Rate Constants,
  • Methanol,
  • Monte Carlo,
  • Nucleation
International Standard Book Number (ISBN)
978-0735411524
Document Type
Article - Conference proceedings
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2013 American Institute of Physics (AIP), All rights reserved.
Publication Date
4-1-2013
Publication Date
01 Apr 2013
Disciplines
Citation Information
Barbara N. Hale, Gerald Wilemski and Aaron Viets. "Monte Carlo Simulations of Growth/Decay Rate Constant Ratios for Small Methanol Clusters: Application to Nucleation Data Analysis" AIP Conference Proceedings Vol. 1527 (2013) p. 27 - 30 ISSN: 0094-243X
Available at: http://works.bepress.com/gerald-wilemski/57/