Monte Carlo Simulations of Growth/Decay Rate Constant Ratios for Small Methanol Clusters: Application to Nucleation Data Analysis

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

International Standard Serial Number (ISSN)

0094-243X

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

01 Apr 2013

Link to Full Text

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