TY - JOUR
T1 - Effect of room-temperature ionic liquids on CO2 separation by a Cu-BTC metal-organic framework
AU - Vicent-Luna, José Manuel
AU - Gutiérrez-Sevillano, Juan José
AU - Anta, Juan Antonio
AU - Calero, Sofía
PY - 2013/10/10
Y1 - 2013/10/10
N2 - We report a molecular simulation study aimed to ascertain the effect exerted in gas adsorption when room-temperature ionic liquids (RTILs) are added into the pores of the Cu-BTC metal-organic framework (MOF). Carbon dioxide, methane, nitrogen, and their mixtures are studied. We take into account the influence of the type of anion and the relative amount of RTILs used. It is observed that the presence of RTILs in the MOF pores enhances significantly CO2 adsorption at low pressures, whereas methane and nitrogen adsorption is unaffected.
AB - We report a molecular simulation study aimed to ascertain the effect exerted in gas adsorption when room-temperature ionic liquids (RTILs) are added into the pores of the Cu-BTC metal-organic framework (MOF). Carbon dioxide, methane, nitrogen, and their mixtures are studied. We take into account the influence of the type of anion and the relative amount of RTILs used. It is observed that the presence of RTILs in the MOF pores enhances significantly CO2 adsorption at low pressures, whereas methane and nitrogen adsorption is unaffected.
UR - http://www.scopus.com/inward/record.url?scp=84885667256&partnerID=8YFLogxK
U2 - 10.1021/jp407176j
DO - 10.1021/jp407176j
M3 - Article
AN - SCOPUS:84885667256
VL - 117
SP - 20762
EP - 20768
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7455
IS - 40
ER -