Abstract
Phenol physisorption on a series of porous and non-porous amorphous carbons was studied at 298 K. Grand Canonical Monte Carlo computer simulations were performed to simulate phenol adsorption from the gas phase. Phenol is adsorbed in a solid-like state within the pores and there is no well-developed multilayer regime. The ‘ t’ plot method was adapted to phenol adsorption and the results obtained are in agreement with the model solids employed. The simulated adsorption isotherms were compared with experimental results obtained for adsorption from aqueous solutions of phenol. BET surface areas were calculated. Other characteristics of the adsorption system analyzed were: adsorption energy distribution functions, density profiles, distribution of molecules according to gas–solid energy, and local isotherms.
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