In a journal for industrial engineers, the author presents information about the simulation of chemical reactions in flow reactors by computers. This should be of great interest to industrial engineers who, for example, seek new processes to reduce the volume and hazardousness of ordinarily produced wastes.
Through most of the paper, the author presents the mathematical models and numerical solutions used to simulate the chemistry by a programmed computer. In a few brief sentences, the author relates that the reactor models used are written in FORTRAN 77 for the DEC 20 computer, use the International Mathematical and Statistical Library and its DGEAR routines to solve ordinary differential equations, and use single precision arithmetic. The author also presents some computer timings of example simulation runs and defend the use of single precision arithmetic. The author hopes for a reliable, easy to use, and transportable set of computer programs.
This paper hits an awkward place in the literature about computer usage. The topic is important, but most of the mathematics and chemistry presented require graduate degrees in both areas to understand. The corresponding computer-related information knowledge is so sketchy that very few substantive evaluations can be attempted.
One can only initially trust that the research presented is legitimate, and urge the author to more clearly target his audience in subsequent presentations. The industrial engineer would require far more information about the package’s applicability and availability. The engineer would probably rely on careful, independent evaluations of the package before using it. That independent evaluator would need to deeply explore the underlying mathematics presented, but also much more detailed information not presented here. The computer practitioner would need different details to evaluate the goals of reliability, ease of use, and transportability. The paper does not seem to be well suited for anyone. Its primary value is to alert us that such computer programs exist.
