Abstract:Adsorption separation of paraffin and olefin is an industrially important process, while developing a highly stable and paraffin-selective adsorbent remains challenging. Herein, a pcu-topology (primitive cubic) robust pillared MOF, termed...
“…For the definition of porous media permeability, due to significant differences in particle sizes among different ZIF-8 in our work, the Kozeny Carman model , associated with particle size was selected. In this model, κ can be expressed asκ=dp2180εp3(1−εp)2…”
Section: Comsol Multiphysics Simulationmentioning
confidence: 99%
“…Metal–organic frameworks (MOFs), a class of crystalline hybrid porous materials, have attracted tremendous interest for adsorption-based separations owing to their highly ordered, tunable pore structures. − Several strategies have been employed to separate propane/propylene mixtures using MOFs, with each component’s preferential adsorption achieved by adjusting the framework affinity. − Despite their similar sizes, propylene is slightly smaller along certain directions (Figure S1), enabling kinetic separations through precise pore size control. − Some flexible MOFs display thermoresponsive gate-opening specific to propylene. , Ideal molecular sieving of propylene can be realized in MOFs like KAUST-7 via ligand and metal substitution. , However, tailoring pore architectures and chemistries to match adsorbate properties remains enormously difficult. , …”
The separation challenge posed by propylene/ propane mixtures arises from their nearly identical molecular sizes and physicochemical properties. Metal−organic frameworks (MOFs) have demonstrated potential in addressing this challenge through the precision tailoring of pore sizes and surface chemistry. However, introducing modifications at the molecular level remains a considerable hurdle. This work presents an approach to reversibly tune the propylene/propane adsorption preference in zeolitic imidazolate framework-8 (ZIF-8) by manipulating the particle size and gas flow rate. Systematically increasing the ZIF-8 crystals from 9 to 224 μm restricts propane diffusion, thereby reversing its preferential adsorption over propylene. Furthermore, raising the gas flow rate of mixed propylene/propane shifts the rate-determining breakthrough step from thermodynamic equilibrium to kinetics, again reversing the adsorption preference in a particular ZIF-8 sample. We propose "dynamic selectivity (S d (t))" as a concept that incorporates both thermodynamic and kinetic factors to elucidate these unexpected findings. Moreover, the driving force equation, grounded on the concept of S d (t), has improved the precision and stability of the computational simulation for fixedbed adsorption processes. This work underscores the potential of diffusion-based modulation, implemented through manageable external changes, as a viable strategy to optimize separation performance in porous adsorbent materials.
“…For the definition of porous media permeability, due to significant differences in particle sizes among different ZIF-8 in our work, the Kozeny Carman model , associated with particle size was selected. In this model, κ can be expressed asκ=dp2180εp3(1−εp)2…”
Section: Comsol Multiphysics Simulationmentioning
confidence: 99%
“…Metal–organic frameworks (MOFs), a class of crystalline hybrid porous materials, have attracted tremendous interest for adsorption-based separations owing to their highly ordered, tunable pore structures. − Several strategies have been employed to separate propane/propylene mixtures using MOFs, with each component’s preferential adsorption achieved by adjusting the framework affinity. − Despite their similar sizes, propylene is slightly smaller along certain directions (Figure S1), enabling kinetic separations through precise pore size control. − Some flexible MOFs display thermoresponsive gate-opening specific to propylene. , Ideal molecular sieving of propylene can be realized in MOFs like KAUST-7 via ligand and metal substitution. , However, tailoring pore architectures and chemistries to match adsorbate properties remains enormously difficult. , …”
The separation challenge posed by propylene/ propane mixtures arises from their nearly identical molecular sizes and physicochemical properties. Metal−organic frameworks (MOFs) have demonstrated potential in addressing this challenge through the precision tailoring of pore sizes and surface chemistry. However, introducing modifications at the molecular level remains a considerable hurdle. This work presents an approach to reversibly tune the propylene/propane adsorption preference in zeolitic imidazolate framework-8 (ZIF-8) by manipulating the particle size and gas flow rate. Systematically increasing the ZIF-8 crystals from 9 to 224 μm restricts propane diffusion, thereby reversing its preferential adsorption over propylene. Furthermore, raising the gas flow rate of mixed propylene/propane shifts the rate-determining breakthrough step from thermodynamic equilibrium to kinetics, again reversing the adsorption preference in a particular ZIF-8 sample. We propose "dynamic selectivity (S d (t))" as a concept that incorporates both thermodynamic and kinetic factors to elucidate these unexpected findings. Moreover, the driving force equation, grounded on the concept of S d (t), has improved the precision and stability of the computational simulation for fixedbed adsorption processes. This work underscores the potential of diffusion-based modulation, implemented through manageable external changes, as a viable strategy to optimize separation performance in porous adsorbent materials.
“…MOFs with OMSs usually interact strongly with C 2 H 4 molecules via π complexation, whereas MOFs with relatively less polar sites, usually, can preferentially adsorb C 2 H 6 over C 2 H 4 . 46–66…”
Section: Pore Structure Control Of Mofs For Separating Gaseous Hydroc...mentioning
Separation of gaseous hydrocarbons gets involved in many important industrial processes for manufacturing chemicals, polymers, plastics and fuels, which are performed through cryogenic distillations and are heavily energy-intensive. Adsorption-based gas...
“…For C 2 H 6 /C 2 H 4 separation, the development of C 2 H 6 ‐selective MOFs which are capable of preferentially adsorbing C 2 H 6 over C 2 H 4 is more desirable since the C 2 H 4 products can be directly harvested at the outlet, avoiding additional C 2 H 4 desorption step that is indespensably in C 2 H 4 ‐selective MOFs and hence simplifying the separation process greatly [8] . Up to now, there are some recent C 2 H 6 ‐selective MOFs showing both high capacity and selectivity, [9a–c] providing the promising candidates for C 2 H 6 /C 2 H 4 separation, however, for most of developed C 2 H 6 ‐selective MOFs, they still frequently suffer from either low C 2 H 6 capacity because of small pore volumes or poor C 2 H 6 /C 2 H 4 selectivity owing to the difficulty in discriminating C 2 H 4 and C 2 H 6 [1c,7b,9d] . So it remains a constant challenge to solve the “trade‐off” trouble between selectivity and uptake in the design of C 2 H 6 ‐selective MOFs, nevertheless, both are decisive for the final purity and productivity of C 2 H 4 .…”
Herein, a 2‐fold interpenetrated metal‐organic framework (MOF) Zn‐BPZ‐TATB with accessible N/O active sites in nonpolar pore surfaces was reported for one‐step C2H4 purification from C2H6 or C3H6 mixtures as well as recovery of C3H6 from C2H6/C3H6/C2H4 mixtures. The MOF exhibits the favorable C2H6 and C3H6 uptakes (> 100 cm3 g‐1 at 298 K under 100 kPa) as well as selective adsorption of C2H6 and C3H6 over C2H4. The C3H6‐ and C2H6‐selective feature were investigated detailedly by experimental tests as well as sorption kinetic studyies. Molecular modelling revealed the multiple interactions between C3H6 or C2H6 molecules and methyl groups as well as triazine rings in pores. Zn‐BPZ‐TATB not only can directly generate 323.4 L kg‐1 and 15.4 L kg‐1 of high‐purity (≥99.9%) C2H4 from C3H6/C2H4 and C2H6/C2H4 mixtures, but also provide a large high‐purity (≥99.5%) C3H6 recovery capacity of 60.1 L kg‐1 from C3H6/C2H4 mixtures. More importantly, the high‐purity C3H6 (≥99.5%) and C2H4 (≥99.9%) with the productivities of 38.2 and 12.7 L kg‐1 can be simultaneously obtained from C2H6/C3H6/C2H4 mixtures through a single adsorption/desorption cycle.
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