Thermodynamics Of Rare Earth Compound Database Multiphase System Calculation Of Chemical Equilibrium

Because the rare earth (RE) has the special characteristics of the atomic structure, it and its compounds are widely applied in industrial and agricultural fields, which are known as "vitamin" in industrial and agricultural production. Chinese rare earth resources are very abundant, there is accumulation of a large number on RE scientific research data, but information sharing and utilization is still very weak. It is a important task how to design calculation model which can be implemented easily on computer and simplify the onerous task of researchers using the existing data resources.Analysis, study, forecast and simulation on characters of the rare earth and its compounds are carried through using network and database technology. Necessary thermodynamics data, calculation of chemical balance model are studied based on the goal of building the thermodynamics database of rare earth in this paper. The main contents include:①Rsearches on composition and calculation of basic thermodynamic data about rare earth and its compounds:Heat capacity is expressed temperature function; Molar formation enthalpy and standard entropy of each phase are unified to 298.15K, and the calculate formula of enthalpy and entropy is simplified;②Researches on process calculation of thermodynamics data of rare earth compounds;③Researches and developments on auxiliary programs of the above calculation model:elements analysis programs on molecular formula of compounds, auto equilibrium programs of. chemical equation;④Design and implement chemical equilibrium calculating methods of multi-phase system about RE compounds(SVMP in this paper).The key technology of architecture that realizes chemical equilibrium calculation is to use struts framework based on J2EE. The struts is a classic realization framework of MVC model. According to the manners of Model, View and Controller, the flow sheet of inputting, processing and outputting of an application is separated by MVC, So that an application has been divided into three layers- model, view, controlling, which were burden different task. It is helpful to dividing the work of developing and restructuring of components. Model layer uses EJB+JBOSS technology, EJB and JBOSS technologies have a detailed account in the third chapter. According to the basic thermodynamic data and computing model of thermodynamics database, Web-based on calculation model of chemical equilibrium of rare earth is designed and use related technology of more advanced database software and high-level programming language to design in this paper. Theoretical basis and scheme of realization are provided in order to construct properties database of RE compounds.