Modified Dual-Site Langmuir Adsorption Equilibrium Models from A GCMC Molecular Simulation
نویسندگان
چکیده
منابع مشابه
Molecular simulation of adsorption from dilute solutions.
Adsorption of biomolecules on surfaces is a perennial and general challenge relevant to many fields in biotechnology. A change of the Helmholtz free energy DeltaA takes place when a molecule becomes adsorbed out of a bulk solution. The purpose of our investigations is to explore routes for the calculation of DeltaA by molecular simulations. DeltaA can be obtained both by integration over the me...
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Analytical isotherm equations such as Langmuir and Freundlich isotherms are widely used for modeling adsorption data. However, these isotherms are primarily useful for simulating data collected at a fixed pH value and cannot be easily adapted to simulate pH-dependent adsorption effects. Therefore, most adsorption studies currently use numerical surface-complexation models (SCMs), which are more...
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5 Adsorption Models Incorporated into Chemical Equilibrium Models
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ژورنال
عنوان ژورنال: Applied Sciences
سال: 2020
ISSN: 2076-3417
DOI: 10.3390/app10041311