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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 ...
Equation-free modeling is a method for multiscale computation and computer-aided analysis.It is designed for a class of complicated systems in which one observes evolution at a macroscopic, coarse scale of interest, while accurate models are only given at a finely detailed, microscopic, level of description.
The exact k-ε equations contain many unknown and unmeasurable terms. For a much more practical approach, the standard k-ε turbulence model (Launder and Spalding, 1974 [3]) is used which is based on our best understanding of the relevant processes, thus minimizing unknowns and presenting a set of equations which can be applied to a large number of turbulent applications.
The equation for the group interaction parameter can be simplified to the following: Ψ m n = exp − a m n T . {\displaystyle \Psi _{mn}=\exp {\frac {-a_{mn}}{T}}.} Thus a m n {\displaystyle a_{mn}} still represents the net energy of interaction between groups m {\displaystyle m} and n {\displaystyle n} , but has the somewhat unusual units ...
In mathematics, the annihilator method is a procedure used to find a particular solution to certain types of non-homogeneous ordinary differential equations (ODEs). [1] It is similar to the method of undetermined coefficients, but instead of guessing the particular solution in the method of undetermined coefficients, the particular solution is determined systematically in this technique.
Casio V.P.A.M. calculators are scientific calculators made by Casio which use Casio's Visually Perfect Algebraic Method (V.P.A.M.), Natural Display or Natural V.P.A.M. input methods. V.P.A.M. is an infix system for entering mathematical expressions, used by Casio in most of its current scientific calculators.
Free-energy perturbation (FEP) is a method based on statistical mechanics that is used in computational chemistry for computing free-energy differences from molecular dynamics or Metropolis Monte Carlo simulations. The FEP method was introduced by Robert W. Zwanzig in 1954. [1]
The maximum work is thus regarded as the diminution of the free, or available, energy of the system (Gibbs free energy G at T = constant, P = constant or Helmholtz free energy F at T = constant, V = constant), whilst the heat given out is usually a measure of the diminution of the total energy of the system (internal energy).