Search results
Results From The WOW.Com Content Network
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. It is frequently applied in the field of chemical engineering to calculate phase equilibria.
Grant McDonald Wilson (May 24, 1931 – September 10, 2012) was a notable American thermodynamicist.He is widely known to the fields of chemical engineering and physical chemistry for having developed the Wilson equation, one of the first attempts of practical importance to model nonideal behavior in liquid mixtures as observed in practice with common polar compounds such as alcohols, amines, etc.
The easiest thermodynamic models, also known as equations of state, can come from simple correlations that relate different thermodynamic properties using a linear or second-order polynomial function of temperature and pressures. They are generally fitted using experimental data available for that specific properties.
The UNIQUAC model can be considered a second generation activity coefficient because its expression for the excess Gibbs energy consists of an entropy term in addition to an enthalpy term. Earlier activity coefficient models such as the Wilson equation and the non-random two-liquid model (NRTL model) only consist of enthalpy terms.
Thermodynamic data is usually presented as a table or chart of function values for one mole of a substance (or in the case of the steam tables, one kg). A thermodynamic datafile is a set of equation parameters from which the numerical data values can be calculated. Tables and datafiles are usually presented at a standard pressure of 1 bar or 1 ...
A particular problem in the area of liquid-state thermodynamics is the sourcing of reliable thermodynamic constants. These constants are necessary for the successful prediction of the free energy state of the system; without this information it is impossible to model the equilibrium phases of the system.
The model is very suitable for graphical presentation of the data and is therefore easy to use in practice." Free web based applications include Entall [6] and Miedema Calculator. [7] The latter was reviewed and improved in 2016, with an extension of the method. [8] [9] The original Algol program [10] was ported to Fortran. [11]
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 ...