Chemical Process Simulation on Parallel Computers

We have developed a core code to model the cylindrical polar and Cartesian incompressible turbulent Navier-Stokes equations with application to chemical reactor problems. A conventional co-located finite volume method is used to discretise the conservative form of the partial differential equations. The pressure velocity coupling is solved using the SIMPLE algorithm with the resulting sets of equations solved using tri-diagonal matrix or pre-conditioned conjugate gradient memthods as appropriate. A parallel message passing version of the code has been developed within MPI and PVM. In this paper we will describe the core-code and the development of a specific module to model the industrial production of titania particles resulting from the interaction at high pressures and temperatures of streams of titanium chloride and oxygen.