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[13] [14] If two locations have different total chemical potentials for a species, some of it may be due to potentials associated with "external" force fields (electric potential energy, gravitational potential energy, etc.), while the rest would be due to "internal" factors (density, temperature, etc.) [13] Therefore, the total chemical ...
The relative activity of a species i, denoted a i, is defined [4] [5] as: = where μ i is the (molar) chemical potential of the species i under the conditions of interest, μ o i is the (molar) chemical potential of that species under some defined set of standard conditions, R is the gas constant, T is the thermodynamic temperature and e is the exponential constant.
where ρ si is the partial density of the i th species. Beyond this, in chemical systems other than ideal solutions or mixtures, the driving force for the diffusion of each species is the gradient of chemical potential of this species. Then Fick's first law (one-dimensional case) can be written
The chemical potential of species i in solution, , depends on its activity by the following equation: [2] μ i = μ i o + R T ln a i , {\displaystyle \mu _{i}={\mu _{i}}^{o}+RT\ln a_{i}\,,} where μ i o {\displaystyle {\mu _{i}}^{o}} is the chemical potential of the i -th component at a reference state, R is the gas constant and T is the ...
The Nernst–Planck equation is a conservation of mass equation used to describe the motion of a charged chemical species in a fluid medium. It extends Fick's law of diffusion for the case where the diffusing particles are also moved with respect to the fluid by electrostatic forces. [1] [2] It is named after Walther Nernst and Max Planck.
As originally formulated by Benjamin Widom in 1963, [1] the approach can be summarized by the equation: = = where is called the insertion parameter, is the number density of species , is the activity of species , is the Boltzmann constant, and is temperature, and is the interaction energy of an inserted particle with all other particles in the system.
COSMO-RS (short for COnductor like Screening MOdel for Real Solvents) [1] [2] [3] is a quantum chemistry based equilibrium thermodynamics method with the purpose of predicting chemical potentials μ in liquids. It processes the screening charge density σ on the surface of molecules to calculate the chemical potential μ of each species in ...
The potential, μ i, of the ith species in a chemical reaction is the partial derivative of the free energy with respect to the number of moles of that species, N i: = (), A general chemical equilibrium can be written as [note 1]