-In this paper we report the application and evaluation of the simulated annealing (SA) optimization method in parameter estimation for vapor-liquid equilibrium (VLE) modeling. We tested this optimization method using the classical least squares and error-in-variable approaches. The reliability and efficiency of the data-fitting procedure are also considered using different values for algorithm parameters of the SA method. Our results indicate that this method, when properly implemented, is a robust procedure for nonlinear parameter estimation in thermodynamic models. However, in difficult problems it still can converge to local optimums of the objective function.
This paper presents experimental liquid densities for n-pentane, n-octane, and n-nonane and their binary mixtures from (273.15 to 363.15) K over the entire composition range (for the mixtures) at atmospheric pressure. The experimental apparatus is a vibrating-tube densimeter. It is possible to compare the results to a generalized correlation for liquid densities of n-alkanes and to molecular dynamics simulations. The average absolute percentage deviation is (0.06 and 0.8) % using the equation and the simulation results.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.