Fundamental chemistry with Matlab /

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Mazza, Daniele (Autor), Canuto, Enrico (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam, Netherlands : Elsevier, 2022.
Temas:
MATLAB.
MATLAB
Chemistry > Computer programs.
Chemistry > Computer programs
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Front Cover
  • Fundamental Chemistry With Matlab
  • Copyright Page
  • Dedication
  • Contents
  • Introduction
  • Matlab language and environment
  • The Matlab scripts
  • The book topics
  • Group one: atomic orbitals
  • Plotting atomic orbitals with Matlab (Chapter 1)
  • Group two: stoichiometry and kinetics
  • Balancing chemical reactions with Matlab (Chapter 2)
  • Chemical kinetics aided by Matlab/Simulink (Chapter 3)
  • More complex kinetics aided by Matlab/Simulink (Chapter 4)
  • Group three: gases and vapors
  • Gaseous reactions and equilibria aided by Matlab (Chapter 5)
  • Physical properties of gases and vapors aided by Matlab (Chapter 6)
  • Group four: aqueous solutions
  • Exploring acid-base equilibria in water with Matlab (Chapter 7)
  • Colligative properties of solutions aided by Matlab (Chapter 8)
  • Exploring seawater chemical equilibria with Matlab (Chapter 9)
  • Prevalence diagrams for some common elements aided by Matlab (Chapter 10)
  • Appendices
  • Authorship and acknowledgments
  • Measurement units and universal constants
  • Standard conditions for temperature and pressure
  • Notations
  • Abbreviations
  • References
  • 1 Plotting atomic orbitals with Matlab
  • 1.1 Wave functions and their factorization
  • 1.1.1 Generalities
  • 1.1.2 Angular wave functions
  • 1.1.3 Table of the radial functions
  • 1.2 Graphical plot of the wave functions
  • 1.3 Graphical algorithm
  • 1.3.1 Description
  • 1.3.2 Matlab script
  • 1.4 Graphical plot of the radial probability density for s-type orbitals
  • 1.4.1 Description
  • 1.4.2 Matlab script and graphical results
  • 1.5 Hybrid orbitals
  • 1.5.1 Hybrid orbitals sp3
  • 1.5.2 Hybrid orbitals dsp3
  • 1.5.3 Hybrid orbitals d2sp3
  • References
  • 2 Balancing chemical reactions with Matlab
  • 2.1 Introduction
  • 2.2 Nonredox and redox reactions
  • 2.2.1 Nonredox reactions (or metatheses)
  • 2.2.2 Redox reactions
  • 2.2.3 Stoichiometry and nonredox reactions
  • 2.2.4 Stoichiometry and redox reactions
  • 2.3 General method
  • 2.3.1 The balance equation
  • 2.3.2 Example
  • 2.4 Solution of the homogeneous system of linear equations
  • 2.4.1 The nullspace method
  • 2.4.2 Example
  • 2.4.3 Balancing algorithm from chemical formulas
  • 2.5 Nullspace algorithm for balancing chemical reactions
  • 2.5.1 Nullspace function stoichiometry
  • 2.5.2 Results of the plug-in code example
  • 2.6 Catalog of the reactions and of their plug-in codes
  • 2.6.1 Oxidation of hydrogen peroxide by potassium permanganate
  • 2.6.2 Oxidation of silver sulfide by aqua regia
  • 2.6.3 Oxidation of bromidric acid by potassium dichromate
  • 2.6.4 Oxidation of mercury by nitric and chloridric acid
  • 2.6.5 Oxidation of chromium(II) bromide by sodium bromate
  • 2.6.6 Zinc oxidation by silver arseniate
  • 2.6.7 Precipitation of an insoluble salt (AgCl)
  • 2.6.8 Neutralization of carbonic acid with sodium hydroxide

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