his paper discusses the relation between software tools primarily designed fbr mathematical modelling, simulation and investigation of chemical reactors and the common method for identification of hazard, the Hazard and Operability (HAZOP) study. We have tried to couple these tools with the HAZOP study. The principal objective was to present a new methodology for hazard investigation. In our work a multi-parameter analysis of a model system with exothermic reaction (hydrolysis of propylene oxide to monopropylene glycol with consecutive reactions producing higher glycols) in two continuousstirred tank reactors (CSTRs) in series with jacket cooling was used. In the first section a mathematical model of two CSTRs in series was fbrmulated. The next step is safety analysis, including analysis of the multiplicity of steady states and their stability, study of safe operating, and conditions and trajectories, which can shift the reactors from one steady state to another steady state. Parametric studies of the failure of the reactants flow rate (propylene oxide and water) and of the cooling medium were also done. Finally, the results of safety analysis were reproduced and we tried to find all possibilities fbr utilization of these results in HAZOP studies.

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Steady state analysis of a combined hybrid process consisting of a reactive distillation column, pervaporation unit, and a distillation column is presented. This process configuration was first presented by Steinigeweg and Gmehling (2004) for the transesterification of methyl acetate and butanol to butyl acetate and methanol. This system is characteristic for its low reaction rate and complex phase equilibrium. Steinigeweg and Gmehling (2004) have shown that the combination of reactive distillation and pervaporation is favourable since conversions close to 100 % can be reached with a reasonable size of the reactive section in the reactive distillation column. The aim of this paper is to show that although high conversion can be achieved, very complicated steady state behaviour must be expected. The presented analysis is based on mathematical modelling of a process unit, where the steady-state analysis, including continuation and bifurcation analyses, was used. Multiple steady states were predicted for the studied system; three steady states with conversions higher than 98 %. However, not all predicted steady states met the maximal allowed temperature condition in the reactive section (catalyst maximal operation temperature of 393 K). The presence of multiple steady states reduces the operability and controllability of the reactive distillation column during its start-up and during the occurrence of any variation of operating parameters because the system can be shifted from one steady state to another one (concurrent exceeding the maximal allowed temperature) with unwanted consequences, e.g. production loss. Therefore, design and subsequent operation of such a complicated system is an ambitious task requiring knowledge of any possible system behaviour.