Computing Platform, Based On The Thermodynamics Of The Internet

As the developing of computational technology, it is possible to obtain data of chemical equilibrium and other thermodynamical properties by solution of model for complicated systems. A large number of the excellent phase-diagram calculation software and corresponding databases based on the Gibbs Energy Minimization technology extends quite great progress. A new cross-subject science ?computational thermodynamic was derived.ChemApp is an excellent computational thermodynamic function library. But users must program output diagram routine manually due to its lack of graphic output capability. The limitation in use on single computer minimizes its effect greatly.Constructing a toolbox under MatLab environment by means of ChemApp library was proposed in this thesis. A MatLab thermodynamic toolbox consists of a series of thermodynamic functions, which was builded by compiling ChemApp internal functions into MatLab executable mex-files through MatLab API, was constructed. This combination not only extended MatLab application range and introduced thermodynamic computation capability, but also made ChemApp easy to use and endow with ability of handling complex data and generalizing graphics.On the basis of MatLab thermodynamic toolbox, this thesis presents a new method of programming ChemApp application in terms of M-file, acquiring input and publishing output through network by means of the intercourse of MatWeb Server and Internet. With the accomplishment of the method, ChemApp application interface was extended further, and finally formed a computational thermodynamic platform on Internet.The developing of network computation was relatively slow because of the speciality of network connection and the issue of security. The network intercourse under CGI mode has disadvantage of long developing period, hard maintenance and many secure defects. Contrastively, the approach of integrate MatLab Web Server and ChemApp could realize network computation in a rapid, reliable, stable and secure way.There is outstanding advantages of the network application developed by the way mentioned above, such as acquiring the stability and liability by inheriting mature algorithm, keeping source code in security by mechanism of server-side script, making update easy because scripts store only on server, giving user the requested results without time and space limitation because the network interface available anytime and anywhere.By use of the MatLab thermodynamic computational toolbox, A combustion of a multi-stage and multi-reaction process was simulated, and comprehensive result was obtained quickly and reliably; By means of the Internet launch platform constructed, the input/output interface of this simulation was expanded to network. Therefore, the range of thermodynamical computation and its application are broaden, and the facility is also enhanced.