| Description |
1 online resource. |
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text txt rdacontent |
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computer c rdamedia |
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online resource cr rdacarrier |
| Note |
Print version record. |
| Contents |
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) |
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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 |
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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 |
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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 |
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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 |
| Subject |
MATLAB.
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MATLAB
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Chemistry -- Computer programs.
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Chemistry -- Computer programs
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| Added Author |
Canuto, Enrico, author.
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| Other Form: |
Print version: MAZZA, DANIELE. CANUTO, ENRICO. FUNDAMENTAL CHEMISTRY WITH MATLAB. [S.l.] : ELSEVIER - HEALTH SCIENCE, 2022 0323913415 (OCoLC)1260194071 |
| ISBN |
0323913423 |
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9780323913423 (electronic bk.) |
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9780323913416 (print) |
| Standard No. |
AU@ 000071513158 |
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UKMGB 020425829 |
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