factsage7.5实用教程-检查数据库中的化合物热力学数据(Cp(T), H, S, G, etc.) 并列出溶液体系..pptVIP

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2019-09-10 发布于广东
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factsage7.5实用教程-检查数据库中的化合物热力学数据(Cp(T), H, S, G, etc.) 并列出溶液体系..ppt

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View Data The View Data module The View Data module The View Data module View Data of a Compound Database The following two slides show how a search for a list of compounds in a given system is prepared and executed. The resulting list of species is shown and the various options in the Menu bar are indicated. Note that the search can also be for a single compound with a given formula. The appropriate entry formats are shown in the first of the two slides. View Data of a Compound Database The Menu Bar Phases and References of a compound The following two slides show the display window with the basic information on a particular compound. The substance name and the molecular weight are shown. The Phases Tab in the display window is related to the phases and the temperature ranges for which data are available. The second slide shows the result when clicking on the Refs. Tab. Phases References The basic compound data: H298, S298 and Cp coefficients The following slide shows the basic data that are stored for any compound in a database. These are: the enthalpy of formation DH298, the entropy S298 and the coefficients of the Cp-polynomial In many cases it is necessary to use more than one set of coefficients of Cp in order to describe the Cp-curve with sufficient accuracy. Furthermore, if a compound undergoes phase changes with increase of temperature, each new phase will have at least one new Cp-polynomial. Heat capacity expressions – Cp(T) Different derived thermodynamic functions: H(T), S(T) and G(T) Enthalpy expressions – H(T) Entropy expressions – S(T) Gibbs Energy expressions – G(T) Additional basic data of a compound The compound database format permits not only the storage of the standard data shown in the previous slides. It is also possible to enter data for the magnetic Gibbs energy of a solid compound, basic data the permit the calculation of virial coefficients of gaseous compounds, and data to treat the pressure dependence of the Gibbs energy of condense