SimuSage - Process Simulation

Ever since its foundation in 1983 GTT has been engaged in the development and application of classical computational thermochemistry. Our efforts have been centered around the calculation of equilibria in the form of one and two-dimensional phase maps and of course the assessment of thermochemical data.

With the development of ChemApp, our programmers library for thermochemistry, we made the first step into the direction of process simulation, which was already employed successfully in its very early days in the simulation of industrial processes, e.g. the Na2SO4 + 2 KCl -> K2SO4 + 2 NaCl conversion process or the sinter process for Fe-ores.

ChemApp is based on the local equilibrium concept that uses input streams of defined composition, temperature and pressure to obtain an equilibrium state for which either temperature and pressure or appropriate extensive property balances, e.g. for the enthalpy (heat) are given. From the equilibrium output streams are generated which can be used in further process steps.

 Calculation of local equilibrium

Figure 1.1The basic ChemApp concept

Yet, it was a customer who led us the into the decisive next step. SMS Siemag who were ChemApp users in their process metallurgy division wanted to have a tool for use by engineers with programming knowledge rather than full programmers. Thus the idea of linking ChemApp to a general programming environment with a graphical user interface was born. We are very grateful to SMS Siemag for the original development and the subsequent support of GTT’s efforts to make SimuSage a product for general use.