Application of MD Simulations to Predict Membrane Properties of MOFs

Table 2

Properties and permeance measurement conditions of MOF membranes.

MOF membrane	Measured gas permeances	(bar)	(bar)	(°C)	Membrane thickness (m)	Reference
IRMOF-1	CH4, H2, CO2, N2	1.06	Vacuum	25	25	[16]
Ni-MOF-74	CH4, H2, CO2, N2	1.8	1	25	25	[41]
MIL-53(Al)	He, N2, CO2	0.7	Vacuum	25	60	[42]
ZIF-69	CH4, H2, CO2	1	Vacuum	25	50	[24]
	N2				40	[25]
	CH4/CO2: 50/50				40
	CO2/N2: 50/50				40
ZIF-78	CH4, H2, CO2, N2	2.5	1	25	25	[26]
	H2/CH4: 50/50	2
	H2/CO2: 50/50	2
	H2/N2: 50/50	2
ZIF-90	CH4, H2, CO2, N2	1	Vacuum	200	20	[27]
	H2/CH4: 50/50
	H2/CO2: 50/50
	H2/N2: 50/50
ZIF-95	CH4, H2, CO2, N2	1	Vacuum	325	30	[28]
	H2/CH4: 50/50
	H2/CO2: 50/50
	H2/N2: 50/50
ZIF-8	H2	1	Vacuum	25	12	[20]
	H2/N2: 50/50
	H2/CO2: 50/50
	H2/CH4: 50/50
	H2	1	Vacuum	25	15	[21]
	H2	1	Vacuum	25	11	[22]
	H2	2.76	1.76	25	10	[23]