Practical Chemistry Modeling Applied to Process Design Studies

摘要

Chemistry modeling is capable of accurately predicting the physical, material, and performance properties of both established and new materials and processes. A relatively new technology, it is gaining rapid acceptance as a way to understand practical industrial chemical problems in a structured and detailed manner. Based on quantum chemistry, chemistry modeling is a novel science that uses theoretical models and computer software instead of experimental observation to measure the properties of molecules. This paper discusses how chemistry modeling assists engineers in the design, pilot, and production stages of chemical processes. Several current examples taken from the modern chemical industry are reported. Finally, the promise of chemistry modeling as a modern business tool is addressed.