Conceptual design of chemical processes: opportunities for molecular modeling

摘要

In recent years, process development has changed quite significantly in many companies. There is an increased emphasis on tighter justification through integration of business development with process development. This is a very positive step. There is also an emphasis on reducing the development time and cost by omitting some phases of the activity that have traditioally been considered vital (e.g., omitting the pilot plant). This has not always been such a positive step. In this article we consider some of the ways that molecular modeling can contribute to improved procedures for process development.