Advanced Data Analysis and Modelling in Chemical Engineering

Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques. Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development.

Denis Constales is an applied mathematician who has been working in chemical engineering and statistics for the past 12 years, specializing in diffusion problems, parameter estimation and inverse problems, chemical kinetics, reaction mechanism identification, and nearly all aspects of the Temporal Analysis of Products method.

1. Introduction2. Chemical Composition and Structure: Linear Algebra3. Complex Reactions: Kinetics and Mechanisms - Ordinary Differential Equations - Graph Theory4. Physicochemical Principles of Simplification of Complex Models5. Physicochemical Devices and Reactors6. Thermodynamics7. Stability of Chemical Reaction System8. Optimization of Multizone Configurations9. Experimental Data Analysis: Data Processing and Regression10. Polymers: Design and Production11. Advanced Theoretical Analysis in Chemical Engineering: Computer Algebra and Symbolic Calculations