Chemical kinetics conserves mass and renders nonnegative solutions; a good numerical simulation would ideally produce mass-balanced, positive concentration vectors. Many time-stepping methods are mass conservative; however, unconditional positivity restricts the order of a traditional method to one.
Numerical integration for polyatomic systems
โ Scribed by G te Velde; E.J Baerends
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 148 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0021-9991
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