An improved statistical analysis for predicting the critical temperature and critical density with Gibbs ensemble Monte Carlo simulation

A rigorous statistical analysis is presented for Gibbs ensemble Monte Carlo simulations. This analysis reduces the uncertainty in the critical point estimate when compared with traditional methods found in the literature. Two different improvements are recommended due to the following results. First...

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Veröffentlicht in:	The Journal of chemical physics 2015-09, Vol.143 (10), p.104101-104101
Hauptverfasser:	Messerly, Richard A, Rowley, Richard L, Knotts, 4th, Thomas A, Wilding, W Vincent
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Alkanes Computer simulation Confidence intervals Critical point Critical temperature Density Errors Monte Carlo simulation Physics Regression analysis Statistical analysis Transition temperature Uncertainty analysis
Online-Zugang:	Volltext
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