scholarly journals Computational Screening of MOF-Based Mixed Matrix Membranes for CO2/N2Separations

2016 ◽  
Vol 2016 ◽  
pp. 1-12 ◽  
Author(s):  
Zeynep Sumer ◽  
Seda Keskin

Atomically detailed simulations were used to examine CO2/N2separation potential of metal organic framework- (MOF-) based mixed matrix membranes (MMMs) in this study. Gas permeability and selectivity of 700 new MMMs composed of 70 different MOFs and 10 different polymers were calculated for CO2/N2separation. This is the largest number of MOF-based MMMs for which computational screening is done to date. Selecting the appropriate MOFs as filler particles in polymers resulted in MMMs that have higher CO2/N2selectivities and higher CO2permeabilities compared to pure polymer membranes. We showed that, for polymers that have low CO2permeabilities but high CO2selectivities, the identity of the MOF used as filler is not important. All MOFs enhanced the CO2permeabilities of this type of polymers without changing their selectivities. Several MOF-based MMMs were identified to exceed the upper bound established for polymers. The methods we introduced in this study will create many opportunities to select the MOF/polymer combinations with useful properties for CO2separation applications.

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Mehtap Safak Boroglu ◽  
Ismail Boz ◽  
Busra Kaya

Abstract In our study, the synthesis of zeolitic imidazolate framework (ZIF-12) crystals and the preparation of mixed matrix membranes (MMMs) with various ZIF-12 loadings were targeted. The characterization of ZIF-12 and MMMs were carried out by Fourier transform infrared spectroscopy analysis, thermogravimetric analysis, scanning electron microscopy (SEM), and thermomechanical analysis. The performance of MMMs was measured by the ability of binary gas separation. Commercial polyetherimide (PEI-Ultem® 1000) polymer was used as the polymer matrix. The solution casting method was utilized to obtain dense MMMs. In the SEM images of ZIF-12 particles, the particles with a rhombic dodecahedron structure were identified. From SEM images, it was observed that the distribution of ZIF-12 particles in the MMMs was homogeneous and no agglomeration was present. Gas permeability experiments of MMMs were measured for H2, CO2, and CH4 gases at steady state, at 4 bar and 35 °C by constant volume-variable pressure method. PEI/ZIF-12-30 wt% MMM exhibited high permeability and ideal selectivity values for H2/CH4 and CO2/CH4 were P H 2 / CH 4 = 331.41 ${P}_{{\text{H}}_{2}/{\text{CH}}_{4}}=331.41$ and P CO 2 / CH 4 = 53.75 ${P}_{{\text{CO}}_{2}/{\text{CH}}_{4}}=53.75$ gas pair.


Small ◽  
2018 ◽  
Vol 14 (37) ◽  
pp. 1801563 ◽  
Author(s):  
Xin Zhang ◽  
Qi Zhang ◽  
Dan Yue ◽  
Jun Zhang ◽  
Jintong Wang ◽  
...  

2018 ◽  
Vol 24 (49) ◽  
pp. 12796-12800 ◽  
Author(s):  
Anahid Sabetghadam ◽  
Xinlei Liu ◽  
Angelica F. Orsi ◽  
Magdalena M. Lozinska ◽  
Timothy Johnson ◽  
...  

2019 ◽  
Vol 11 (17) ◽  
pp. 15638-15645 ◽  
Author(s):  
Ignacio Luz ◽  
Lora Toy ◽  
Feras Rabie ◽  
Marty Lail ◽  
Mustapha Soukri

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Stefan J. D. Smith ◽  
Bradley P. Ladewig ◽  
Anita J. Hill ◽  
Cher Hon Lau ◽  
Matthew R. Hill

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