A microscopic view of chemical exchange: Monte Carlo simulation of molecular association
β Scribed by Lippens, G. ;Caron, L. ;Smet, C.
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 256 KB
- Volume
- 21A
- Category
- Article
- ISSN
- 1043-7347
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π SIMILAR VOLUMES
The exchange kinetics of polymers adsorbing on a solid surface is extensively studied by dynamic Monte Carlo simulations. A model employed simulates a semidilute polymer solution placed in contact with a solid surface that attracts polymer segments by the adsorption interaction (v s ). The exchange
We report a direct Monte Carlo simulation of a Lindemann-Christiansen unimolecular reaction system. The simulation is carried out at the molecular level and includes energy transfer among reactants and products as well as the reaction steps. The usual differential equations of chemical kinetics are