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VLE of the mixture of chloroform and methanol plus NRTL fit and extrapolation to different pressures. The non-random two-liquid model [1] (abbreviated NRTL model) is an activity coefficient model introduced by Renon and Prausnitz in 1968 that correlates the activity coefficients of a compound with its mole fractions in the liquid phase concerned.
A word equation is a formal equality:= = between a pair of words and , each over an alphabet comprising both constants (c.f. ) and unknowns (c.f. ). [1] An assignment of constant words to the unknowns of is said to solve if it maps both sides of to identical words.
The thermodynamics of an ideal Bose gas is best calculated using the grand canonical ensemble.The grand potential for a Bose gas is given by: = = (). where each term in the sum corresponds to a particular single-particle energy level ε i; g i is the number of states with energy ε i; z is the absolute activity (or "fugacity"), which may also be expressed in terms of the chemical ...
The fugacity of a condensed phase (liquid or solid) is defined the same way as for a gas: = and = It is difficult to measure fugacity in a condensed phase directly; but if the condensed phase is saturated (in equilibrium with the vapor phase), the chemical potentials of the two phases are equal (μ c = μ g).
In mathematics, the Cauchy condensation test, named after Augustin-Louis Cauchy, is a standard convergence test for infinite series.For a non-increasing sequence of non-negative real numbers, the series = converges if and only if the "condensed" series = converges.
In practice, one runs a normal simulation for state A, but each time a new configuration is accepted, the energy for state B is also computed. The difference between states A and B may be in the atom types involved, in which case the Δ F obtained is for "mutating" one molecule onto another, or it may be a difference of geometry, in which case ...
The Margules activity model is a simple thermodynamic model for the excess Gibbs free energy of a liquid mixture introduced in 1895 by Max Margules. [1] [2] After Lewis had introduced the concept of the activity coefficient, the model could be used to derive an expression for the activity coefficients of a compound i in a liquid, a measure for the deviation from ideal solubility, also known as ...
Renormalization is a collection of techniques in quantum field theory, statistical field theory, and the theory of self-similar geometric structures, that are used to treat infinities arising in calculated quantities by altering values of these quantities to compensate for effects of their self-interactions.