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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.
List of contents
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
About the author
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.Enrico Canuto taught Automatic Control for more than 40 years at Politecnico di Torino, Italy. He developed and applied the embedded model control methodology for the design and implementation of digital control systems. Over the course of his career, he has contributed to data reduction of the European astrometric mission Hipparcos, concluding with the publication of the Hipparcos star Catalogue of 120,000 stars; to the European GOCE mission and other forthcoming missions; to instruments for space qualification like the Nanobalance thrust-stand. In the last ten years, he has also collaborated with the Center for Gravity Experiments, Huazhong University of Science and Technology, Wuhan, and the Tianqin Centre, Sun-Yat-Sen University, Zhuhai, China, in the field of scientific space missions aimed at detecting gravitational waves.
