A guide to using MATLAB scripts, models, and algorithms to explore the fundamentals and applications of key topics in chemistry.
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
MATLAB offers huge capabilities for data processing, graphical presentation and modelling, making it an important tool for chemists in navigating their increasingly data-driven field. Fundamental Chemistry with MATLAB highlights how this functionality can be used to explore the fundamentals and applications of key topics in chemistry.
After an introduction to MATLAB, the book goes on to provide 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 thoroughly outlined enabling the reader to modify them to fit their particular needs.
Drawing on the experience of its expert authors, Fundamental Chemistry with MATLAB is a practical guide for all those in chemistry who are interested in harnessing the scripts, models, and algorithms of the MATLAB platform to further enhance their use, understanding and visualization of data.
About the Authors
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. His current research interests focus on environmental and climatic issues, in particular ocean chemistry and CO2 equilibria in seawater.
Enrico Canuto has taught Automatic Control for more than 40 years at Politecnico di Torino, Turin, Italy. He developed and applied the Embedded Model Control methodology for the design and implementation of digital control systems. He contributed to data reduction of the European astrometric mission Hipparcos, which ended with the publication of the Hipparcos star Catalogue of 120,000 stars. He was active in the design of spacecraft control systems, contributing to the European GOCE mission, to other forthcoming missions, and to instruments for space qualification like the Nanobalance thrust-stand. In the last ten years he has 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. He has authored one book and published over 150 papers.