MATHEMATICAL-MODELING OF CHEMICAL REACTORS - DEVELOPMENT AND IMPLEMENTATION OF NOVEL TECHNOLOGIES

Mathematical modeling is an important tool for rapid and reliable reactor development and design. The models are built up from basic studies of the reaction mechanism and kinetics, the transfer processes, and the interactions within the system. A detailed understanding of the elementary processes enables the construction of powerful and complex models for dynamic and steady-state simulation. With the aid of experimentally determined parameter values one can develop new processes or improve existing ones. Excellent results obtained in experimental work under idealized laboratory conditions can seldom be fully realized in practice. This is due to factors such as transfer resistances, local gradients, fluctuating conditions, and constructional and other limitations which lead to unsatisfactory parameter values and higher costs to compensate for these shortcomings. Some recommendations are made for circumventing these deficiencies.