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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 ...
Engineering Equation Solver (EES) is a commercial software package used for solution of systems of simultaneous non-linear equations.It provides many useful specialized functions and equations for the solution of thermodynamics and heat transfer problems, making it a useful and widely used program for mechanical engineers working in these fields.
CALPHAD had a slow start in the 60s but sophisticated thermodynamic data bank systems started to appear in the 80s and today there are several commercial products on the market, e.g. FactSage, MTDATA, PANDAT, MatCalc, JMatPro, and Thermo-Calc as well as open-sources codes such as OpenCalphad, [8] PyCalphad, and ESPEI.
Computational thermodynamics may be considered a part of materials informatics and is a cornerstone of the concepts behind the materials genome project. While crystallographic databases are used mainly as a reference source, thermodynamic databases represent one of the earliest examples of informatics, as these databases were integrated into thermochemical computations to map phase stability ...
The work done in a process on vapor cycles is represented by length of h, so it can be measured directly, whereas in a T–s diagram it has to be computed using thermodynamic relationship between thermodynamic properties. [1] In an isobaric process, the pressure remains constant, so the heat interaction is the change in enthalpy. [2]
Thermodynamic diagrams are diagrams used to represent the thermodynamic states of a material (typically fluid) and the consequences of manipulating this material. For instance, a temperature– entropy diagram ( T–s diagram ) may be used to demonstrate the behavior of a fluid as it is changed by a compressor.
Fundamental models refer to a family of thermodynamic models that propose a mathematical form for one of the fundamental thermodynamic properties of the system, such as Gibbs free energy or Helmholtz free energy. The core idea behind this type of thermodynamic models is that, by constructing the fundamental property, it is possible to take ...
Besides the well-known Pitzer-like equations, there is a simple and easy-to-use semi-empirical model, which is called the three-characteristic-parameter correlation (TCPC) model. It was first proposed by Lin et al. [ 22 ] It is a combination of the Pitzer long-range interaction and short-range solvation effect: