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This section contains a series of interactive simulations of major steelmaking processes from raw materials, basic oxygen steelmaking (BOS) and electric arc furnace (EAF) steelmaking, secondary steelmaking, continuous casting, and hot rolling. Different steel grades can be processed using two levels of operation which are suitable for students ...
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 ...
It may provide or confirm basic enthalpy data needed for the calculation of phase diagrams of metals, via CALPHAD or ab initio quantum chemistry methods. For a binary system composed by elements A and B, a generic Miedema Formula could be cast as Δ H = f ( E l e m e n t A , P h i A , n W S A , V A , E l e m e n t B .
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 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.
For quasi-static and reversible processes, the first law of thermodynamics is: d U = δ Q − δ W {\displaystyle dU=\delta Q-\delta W} where δQ is the heat supplied to the system and δW is the work done by the system.
The thermodynamic properties of materials are intensive thermodynamic parameters which are specific to a given material. Each is directly related to a second order differential of a thermodynamic potential. Examples for a simple 1-component system are: Compressibility (or its inverse, the bulk modulus) Isothermal compressibility
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 ...