AT

A Torres-Knoop

8 records found

Monte Carlo simulations are used to calculate the solubility of natural gas components in ionic liquids (ILs) and Selexol, which is a mixture of poly(ethylene glycol) dimethyl ethers. The solubility of the pure gases carbon dioxide (CO2), methane (CH4), etha ...
Computing bubble-points of multicomponent mixtures using Monte Carlo simulations is a non-trivial task. A new method is used to compute gas compositions from a known temperature, bubble-point pressure, and liquid composition. Monte Carlo simulations are used to calculate the bubb ...
A new formulation of the Gibbs ensemble (GE) combined with the continuous fractional component Monte Carlo method is presented. In the proposed formulation, only a single fractional molecule per component is used instead of two in the original formulation by Shi and Maginn ( J. C ...
Computing accurate vapor–liquid equilibrium (VLE) diagrams using Monte Carlo simulations is not always straightforward because of the difficulty in inserting and deleting molecules. The acceptance probability of insertions/deletions is sharply reduced at low temperatures and in s ...