Research output: Contribution to journal › Article › peer-review
Adsorption of CO2/CH4 and CO2/N2 mixtures in SBA-15 and CMK-5 in the presence of water: A computer simulation study. / Сизова, Анастасия Андреевна; Сизов, Владимир Викторович; Бродская, Елена Николаевна.
In: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 474, No. 5, 2015, p. 76-84.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Adsorption of CO2/CH4 and CO2/N2 mixtures in SBA-15 and CMK-5 in the presence of water: A computer simulation study
AU - Сизова, Анастасия Андреевна
AU - Сизов, Владимир Викторович
AU - Бродская, Елена Николаевна
PY - 2015
Y1 - 2015
N2 - © 2015 Elsevier B.V.Adsorption of CO2/CH4 and CO2/N2 gas mixtures in SBA-15 and CMK-5 is studied by Grand Canonical Monte Carlo. Simulations are carried out at 298K for pressures up to 50atm in dry adsorbents and in the presence of preadsorbed water (3.5 or 11.1mmol/g). Effects of preadsorbed water on adsorption of gas mixtures are different for hydrophilic and hydrophobic porous materials. For SBA-15 the presence of water has a negative effect on adsorption, significantly reducing both the adsorption capacity and selectivity to carbon dioxide. By contrast, in CMK-5 the capacity and selectivity increase with increasing content of preadsorbed water. The behavior of gas capacities in moist adsorbents is largely determined by adsorption in the mesoporous regions of the pore space, while the selectivities can be affected by adsorption in micropores of SBA-15 and in inter-pore spaces of CMK-5.
AB - © 2015 Elsevier B.V.Adsorption of CO2/CH4 and CO2/N2 gas mixtures in SBA-15 and CMK-5 is studied by Grand Canonical Monte Carlo. Simulations are carried out at 298K for pressures up to 50atm in dry adsorbents and in the presence of preadsorbed water (3.5 or 11.1mmol/g). Effects of preadsorbed water on adsorption of gas mixtures are different for hydrophilic and hydrophobic porous materials. For SBA-15 the presence of water has a negative effect on adsorption, significantly reducing both the adsorption capacity and selectivity to carbon dioxide. By contrast, in CMK-5 the capacity and selectivity increase with increasing content of preadsorbed water. The behavior of gas capacities in moist adsorbents is largely determined by adsorption in the mesoporous regions of the pore space, while the selectivities can be affected by adsorption in micropores of SBA-15 and in inter-pore spaces of CMK-5.
U2 - 10.1016/j.colsurfa.2015.03.008
DO - 10.1016/j.colsurfa.2015.03.008
M3 - Article
VL - 474
SP - 76
EP - 84
JO - Colloids and Surfaces A: Physicochemical and Engineering Aspects
JF - Colloids and Surfaces A: Physicochemical and Engineering Aspects
SN - 0927-7757
IS - 5
ER -
ID: 3928893