Search results for "Thermodynamic databases for pure substances"

Interface thermodynamic model for low pressure evaporation

1979

Gibbs equation in the nonlinear nonequilibrium thermodynamics of dilute nonviscous gases

2003

AbstractThis paper deals with the derivation of the Gibbs equation for a nonviscous gas in the presence of heat flux. The analysis aims to shed some light on the physical interpretation of thermodynamic potentials far from equilibrium. Two different definitions for the chemical potential and thermodynamic pressure far from equilibrium are introduced: nonequilibrium chemical potential and nonequilibrium thermodynamic pressure at constant heat flux q and nonequilibrium chemical potential and nonequilibrium thermodynamic pressure at constant J = Vq, where V is the specific volume.

The reaction enthalpy of hydrogen dissociation calculated with the Small System Method from simulation of molecular fluctuations.

2014

We show how we can find the enthalpy of a chemical reaction under non-ideal conditions using the Small System Method to sample molecular dynamics simulation data for fluctuating variables. This method, created with Hill's thermodynamic analysis, is used to find properties in the thermodynamic limit, such as thermodynamic correction factors, partial enthalpies, volumes, heat capacities and compressibility. The values in the thermodynamic limit at (T,V, μj) are then easily transformed into other ensembles, (T,V,Nj) and (T,P,Nj), where the last ensemble gives the partial molar properties which are of interest to chemists. The dissociation of hydrogen from molecules to atoms was used as a conve…

Formulas for the thermodynamic properties of dense nitrogen.

1969

Thermodynamic Interaction Parameters of Tetra-n-undecylcalix[4]resorcinarenes with Selected Solvents Studied by Inverse Gas Chromatography

2004

The basic thermodynamic parameters, characterising intermolecular interactions of tetra-n-undecylcalix[4]resorcinarene and its octaacetate derivative with simple organic solutes, were calculated by using the inverse gas chromatography method. Free energy, enthalpy and entropy of sorption were determined.