MedeA Gibbs
Compute thermophysical properties of single and multi-phase fluids as well as adsorption isotherms of fluids on solids, based on Gibbs ensemble Monte Carlo method with interatomic interactions described by force fields.
Gibbs is the result of a joint development of the French Petroleum Institute and the University of Paris. It is integrated in the MedeA platform with a convenient user interface and analysis tools.
Gibbs Properties
- Thermophysical properties of single phase, multi- component systems
- Equilibria of two-phase systems: liquid-gas and liquid-liquid
- Equilibria of multi-phase systems: liquid-liquid-gas
- Adsorption isotherms of fluids in nanoporous systems such as zeolites
Types of systems
- Rigid, semi-flexible, and flexible linear, branched, and monocyclic molecules
- Molecules with and without charges
- Rigid nanoporous substrates such as zeolites
Required MedeA modules
- Core MedeA environment
- Job Server and Task Servers
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- Molecular simulation of adsorption equilibria of xylene isomer mixtures in faujasite zeolites. A study of the cation exchange effect on adsorption selectivity
- Molecular Simulation of p-Xylene and m-Xylene Adsorption in Y Zeolites. Single Components and Binary Mixtures Study
- Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols
- Prediction of Equilibrium Properties of Cyclic Alkanes by Monte Carlo Simulation - New Anisotropic United Atoms Intermolecular Potential - New Transfer Bias Method
- MEDEA GIBBS: Liquid - Vapor Pressure Curve of Methane