The cell model for solutions, used by one of the authors (I. P.) and his collaborators, is extended to mixtures of spherical molecules of slightly different radii. To take account of this difference, we introduce two characteristic distances aA and aB, which are the mean distances of the first neighbours of a molecule A and of a molecule B. These distances are fixed by a condition of minimum free energy. The thermodynamic excess functions for the solution (excess free energy, energy, entropy and volume) are expressed in terms of purely molecular data.SCOPUS: re.jinfo:eu-repo/semantics/publishe
AbstractMeasurements made on large ensembles of molecules are routinely interpreted using thermodyna...
In order to design and optimize a chemical engineering process a researcher should be aware of diffe...
[[abstract]]A two-sphere description of the effective Born radius for spherical ions was found in pr...
The cell method for pure liquids in the form used by Lennard-Jones and Devonshire is extended to sol...
A statistical thermodynamic model for the interpretation of the equilibria in solution is based on t...
The free energy of an assembly of slightly nonspherical molecules with a hard core is expressed as t...
While the main concepts of thermodynamics are universal, the application to specific systems is not....
A cellular model of simple liquids is proposed which eliminates the objectionable feature of long ra...
Abstract. An equation of state previously developed for binary mixtures of hard spheres and hard dia...
In this paper we develop two methods to calculate thermodynamic properties of mixtures. Starting poi...
The partition functions of solution thermodynamics are mathematical representations of the propertie...
Monte Carlo simulation and theory are used to calculate the excess thermodynamic properties of binar...
A statistical theory of associated solutions is developed, taking into account the two main effects ...
The partial pair distribution functions describe the average conformation of groups of molecules in ...
In this paper one extends the L e n n a r d-J o n e s and D e v o n s h i r e Model to binary mixtur...
AbstractMeasurements made on large ensembles of molecules are routinely interpreted using thermodyna...
In order to design and optimize a chemical engineering process a researcher should be aware of diffe...
[[abstract]]A two-sphere description of the effective Born radius for spherical ions was found in pr...
The cell method for pure liquids in the form used by Lennard-Jones and Devonshire is extended to sol...
A statistical thermodynamic model for the interpretation of the equilibria in solution is based on t...
The free energy of an assembly of slightly nonspherical molecules with a hard core is expressed as t...
While the main concepts of thermodynamics are universal, the application to specific systems is not....
A cellular model of simple liquids is proposed which eliminates the objectionable feature of long ra...
Abstract. An equation of state previously developed for binary mixtures of hard spheres and hard dia...
In this paper we develop two methods to calculate thermodynamic properties of mixtures. Starting poi...
The partition functions of solution thermodynamics are mathematical representations of the propertie...
Monte Carlo simulation and theory are used to calculate the excess thermodynamic properties of binar...
A statistical theory of associated solutions is developed, taking into account the two main effects ...
The partial pair distribution functions describe the average conformation of groups of molecules in ...
In this paper one extends the L e n n a r d-J o n e s and D e v o n s h i r e Model to binary mixtur...
AbstractMeasurements made on large ensembles of molecules are routinely interpreted using thermodyna...
In order to design and optimize a chemical engineering process a researcher should be aware of diffe...
[[abstract]]A two-sphere description of the effective Born radius for spherical ions was found in pr...