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The Antoine equation is a class of semi-empirical correlations describing the relation between vapor pressure and temperature for pure substances. The Antoine equation is derived from the Clausius–Clapeyron relation. The equation was presented in 1888 by the French engineer Louis Charles Antoine (1825–1897). [1]
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.
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The Dortmund Data Bank [1] (short DDB) is a factual data bank for thermodynamic and thermophysical data. Its main usage is the data supply for process simulation where experimental data are the basis for the design, analysis, synthesis, and optimization of chemical processes.
The Antoine equation [3] [4] is a pragmatic mathematical expression of the relation between the vapor pressure and the temperature of pure liquid or solid substances. It is obtained by curve-fitting and is adapted to the fact that vapor pressure is usually increasing and concave as a function of temperature. The basic form of the equation is:
The kinetic theory of gases allows accurate calculation of the temperature-variation of gaseous viscosity. The theoretical basis of the kinetic theory is given by the Boltzmann equation and Chapman–Enskog theory, which allow accurate statistical modeling of molecular trajectories.
Coefficients for partition between water and solvents wet/dry solvent c e s a b v source w 1-butanol: 0.376 0.434 -0.718 -0.097 -2.350 2.682 [1]w
[2] [3] It is valid for many liquids; for instance, the entropy of vaporization of toluene is 87.30 J/(K·mol), that of benzene is 89.45 J/(K·mol), and that of chloroform is 87.92 J/(K·mol). Because of its convenience, the rule is used to estimate the enthalpy of vaporization of liquids whose boiling points are known.