Correlation and prediction of synthesis gas solubility in n‐paraffin systems

Abstract

AbstractFluctuation solution theory relates thermodynamics partial derivatives to integrals of molecular direct correlation functions from statistical mechanics. This paper describes an application of that theory for correlating and predicting solubilities of light gases in heavy n‐paraffins. Two of the solvents are complex waxes. Equations from the theory represent the liquid phase, and additional hypothesis are adopted to build a model for the high pressure vapor‐liquid equilibrium. In the correlation mode, the model, based in the fluctuation solution theory, produces a molar fraction of the gas in the liquid phase with an average absolute relative deviation under 3% in a large number of cases. In the prediction mode, when binary parameters are used, errors are on the order of 10%. Overall for n‐paraffins solvents, the model presented in this paper shows a good capacity to correlate experimental solubility and an adequate power to extrapolate lower pressure data when a binary parameter value has been chosen.