B.1 Integrated process simulation

The objective of this project is to develop an integrated approach to process simulation. Process simulation needs differ significantly with respect to problem type, for example, simulation for design or simulation for control require different tools. Also, the modelling and simulation problem can be quite different with respect to the type of mixture present in the system. For example, models for mixtures with electrolytes are quite different than models for mixtures with normal fluids. In order to achieve a large application range in terms of process as well as in terms of mixtures, it is necessary for the simulation system to be versatile and flexible without sacrificing computational efficiency and accuracy. Simulation strategy defines the appropriate method of solution for a specified simulation problem (steady state simulation, dynamic simulation, simulation for design, etc.).
A simulation system capable of steady state and dynamic modes of simulation with equation oriented as well as modular approaches has been developed and incorporated into ICAS (see research program E). A biochemical process simulation feature has also been added. It is possible to simulate the behaviour of the biochemical process in various modes of operation (batch, fed-batch and continuous).
Current and future work plan include the development of a number of features to our simulation approach in order to be able to solve a wide range of problems with the same set of tools. Work on the following projects has been started:
Development of a switching policy between the equation oriented approach and the modular approach for any simulation problem;
Mixed mode simulation;
Generation of steady state and/or dynamic simulation features from the same model library;
Inclusion of new unit operation modules;
Development of CAPE-OPEN standards for connection with external modules.