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MolecularDynamics

Modeling of activated carbon adsorption

Modeling of the adsorption of an activated carbon in a closed chamber under conditions of temperature and pressure fixed at the beginning. The algorithm is based on a semi-empirical method to adjust the adsorption proportions (here chlorine). The body is a molecular dynamics algorithm based on the verlet method where the adsorption phenomenon has been added.

Made by Guillaume Pradel / Charles Malerba with the help of Antoine Senger. 2022

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Modeling of activated carbon adsorption

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