Fundamental Chemistry with Matlab

Fundamental Chemistry with MATLAB highlights how MATLAB can be used to explore the fundamentals and applications of key topics in chemistry. After an introduction to MATLAB, the book provides examples of its application in both fundamental and developing areas of chemistry, from atomic orbitals, chemical kinetics and gaseous reactions, to clean coal combustion and ocean equilibria, amongst others. Complimentary scripts and datasets are provided to support experimentation and learning, with scripts outlined. Drawing on the experience of expert authors, this book is a practical guide for anyone in chemistry who is interested harnessing scripts, models and algorithms of the MATLAB.

• Provides practical examples of using the MATLAB platform to explore contemporary problems in chemistry
• Outlines the use of MATLAB Simulink to produce block diagrams for dynamic systems, such as in chemical reaction kinetics
• Heavily illustrated with supportive block-diagrams and both 2D and 3D MATLAB plots throughout

Auteur

Daniele Mazza was Professor of Chemistry and Materials Science at the Politecnico di Torino. His main research fields were the electrical and crystallochemical properties of ionic conductors and ceramic superconductors.
He is author or co-author of more than 80 publications in international Journals about solid state chemistry, crystal structure determination, X-ray diffraction and modelization of ionic movement in crystalline lattices. In addition, he is author of three books in chemistry. Hi current research interests focus on environmental and climatic issues, in particular ocean chemistry and CO2 equilibria in seawater.

Contenu

1. Atomic Orbitals 2. Balancing chemical reactions 3. Chemical kinetics 4. More complex kinetics 5. Gaseous reactions and equilibrium 6. Physical properties of gases and vapours 7. Acid-Base equilibria in water 8. Colligative properties of solutions 9. Seawater chemical equilibria 10. Prevalence diagrams for common systems

Appendix A. Linear Algebra B. Introduction to dynamic systems C. Introduction to linear regression D. Introduction to Matlab Simulink E. table of the sea water coefficients F. The Schrödinger equation