Monte Carlo Simulations of Growth/Decay Rate Constant Ratios for Small Methanol Clusters: Application to Nucleation Data Analysis
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.
B. N. Hale et al., "Monte Carlo Simulations of Growth/Decay Rate Constant Ratios for Small Methanol Clusters: Application to Nucleation Data Analysis," AIP Conference Proceedings, vol. 1527, pp. 27-30, American Institute of Physics (AIP), Apr 2013.
The definitive version is available at https://doi.org/10.1063/1.4803196
19th International Conference on Nucleation and Atmospheric Aerosols, ICNAA (2013: Jun. 23-28, Fort Collins, CO)
Keywords and Phrases
Growth/Decay Rate Constants; Methanol; Monte Carlo; Nucleation
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Article - Conference proceedings
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