AbstractWe combine Gibbsian method thermodynamic method for heterogeneous systems with electrostatics. The substances under study are those able to accumulate free (i.e., not dipolar) electric charges. We announce several key formulas related to the first and second energy variations for these macroscopic heterogeneous systems
Numerous empirical and theoretical equations have been proposed to express the excess Gibbs energies...
A constitutive framework is created to parameterize the composition-dependent parts of thermodynamic...
International audienceFree energy simulations for electrostatic and charging processes in complex mo...
We combine Gibbsian method thermodynamic method for heterogeneous systems with electrostatics. The s...
Computation of chemical equilibria in multiphase systems by Gibbs free energy minimization under con...
When some reactants or products in a chemical reaction are ions that are in a phase at a different e...
In process and materials chemistry, digitalization with computational methods has been a long-time c...
There are lots of examples of experimental and computational determination of the phase transitions ...
Computation of chemical equilibria and phase diagrams for multi-phase and non-ideal systems by the m...
A statistical mechanical treatment is given for homogeneous and electrochemical systems having noneq...
In certain electrode processes involving electron transfer mechanisms, a portion of the dielectric p...
The Gibbs energy minimization encompasses active use of the chemical potentials (partial molar Gibbs...
Motivated by biological models of solvation, this dissertation consists of analysis of models of ele...
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, ele...
We discuss equilibrium conditions for heterogeneous substances subject to electrostatic or magnetost...
Numerous empirical and theoretical equations have been proposed to express the excess Gibbs energies...
A constitutive framework is created to parameterize the composition-dependent parts of thermodynamic...
International audienceFree energy simulations for electrostatic and charging processes in complex mo...
We combine Gibbsian method thermodynamic method for heterogeneous systems with electrostatics. The s...
Computation of chemical equilibria in multiphase systems by Gibbs free energy minimization under con...
When some reactants or products in a chemical reaction are ions that are in a phase at a different e...
In process and materials chemistry, digitalization with computational methods has been a long-time c...
There are lots of examples of experimental and computational determination of the phase transitions ...
Computation of chemical equilibria and phase diagrams for multi-phase and non-ideal systems by the m...
A statistical mechanical treatment is given for homogeneous and electrochemical systems having noneq...
In certain electrode processes involving electron transfer mechanisms, a portion of the dielectric p...
The Gibbs energy minimization encompasses active use of the chemical potentials (partial molar Gibbs...
Motivated by biological models of solvation, this dissertation consists of analysis of models of ele...
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, ele...
We discuss equilibrium conditions for heterogeneous substances subject to electrostatic or magnetost...
Numerous empirical and theoretical equations have been proposed to express the excess Gibbs energies...
A constitutive framework is created to parameterize the composition-dependent parts of thermodynamic...
International audienceFree energy simulations for electrostatic and charging processes in complex mo...
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