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The DetStoch package offers the user two different methods to compute chemical reactions: Deterministic and Stochastic approaches. It allows the user to play with an intuitive GUI framework and compute the evolution rates of the chemical reactions with the different methods available. The results are displayed in graphical plots of the species concentration over the time.
The package is designed to solve any of the following reactions by either one of the two approaches mentioned:
Synthesis-Decompostion Reaction
Chain Reaction
Nuclear Chemical Reaction
Lodka Model
Brusselator Model
Furthermore, the Stochastic approach can be computed by several stochastic simulation algorithms. The DetStoch package offers four stochastic algorithms that use probability functions simulated via Monte Carlo methods: Gillespie's Direct Method, Gillespie's First Reaction Method, Bruck and Gibson Next Reaction Method and Tau-Leaping Method.
Features
- Chemical Reaction Simulation through Ordinary Differential Equations
- Chemical Reaction Simulation through Stochastich Simulation Algorithms
- Chemical Simulation of Lotka Model, Brusselator Model, Nuclear Reactions, Sythnesis-Decomposition Processes and Chain Reactions
- Additional parsing of equation sets
- Implementation of Gillespie's: Direct , First Reaction and Tau-leaping methods
- Implementation of Gibson and Bruck Next Reaction Method
Project Samples
