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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 ...
The simplest form of a group-contribution method is the determination of a component property by summing up the group contributions : [] = +.This simple form assumes that the property (normal boiling point in the example) is strictly linearly dependent on the number of groups, and additionally no interaction between groups and molecules are assumed.
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 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 NRTL parameter set to use depends on the kind of phase equilibrium (i.e. solid–liquid (SL), liquid–liquid (LL), vapor–liquid (VL)). In the case of the description of a vapor–liquid equilibria it is necessary to know which saturated vapor pressure of the pure components was used and whether the gas phase was treated as an ideal or a ...
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.
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.
Quantity (common name/s) (Common) symbol/s Defining equation SI unit Dimension Temperature gradient: No standard symbol K⋅m −1: ΘL −1: Thermal conduction rate, thermal current, thermal/heat flux, thermal power transfer