Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures
Abstract
Here the trapping of paraffins is beneficial compared to selective olefin adsorption for adsorptive olefin purification from a process engineering point of view. Here we demonstrate the use of a series of Zn2(X-bdc)2(dabco) (where X-bdc2- is bdc2- = 1,4-benzenedicarboxylate with substituting groups X, DM-bdc2-= 2,5-dimethyl-1,4-benzenedicarboxylate or TM-bdc2- = 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate and dabco = diazabicyclo[2.2.2.]octane) metal-organic frameworks (MOFs) for the adsorptive removal of ethane from ethylene streams. The best performing material from this series is Zn2(TM-bdc)2(dabco) (DMOF-TM), which shows a high ethane uptake of 5.31 mmol g-1 at 110 kPa, with a good IAST selectivity of 1.88 towards ethane over ethylene. Through breakthrough measurements a high productivity of 13.1 L/kg per breakthrough is revealed with good reproducibility over five consecutive cycles. Molecular simulations show that the methyl groups of DMOF-TM are forming a van der Waals trap with the methylene groups from dabco, snuggly fitting the ethane. Further, rarely used high pressure coadsorption measurements, in pressure regimes that most scientific studies on hydrocarbon separation on MOFs ignore, reveal an increase in ethane capacity and selectivity for binary mixtures with increased pressures. The coadsorption measurements reveal good selectivity of 1.96 at 1000 kPa, which is verified also through IAST calculations up to 3000more »
- Authors:
-
[1];
[3];
[4];
[2];
[2];
[4];
[2]
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Hokkaido Univ., Sapporo (Japan)
- Technische Universität Dresden (Germany)
- Hokkaido Univ., Sapporo (Japan); Kyoto Univ. (Japan)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1845393
- Alternate Identifier(s):
- OSTI ID: 1806580
- Report Number(s):
- SAND2022-0850J
Journal ID: ISSN 1477-9226; 703239
- Grant/Contract Number:
- NA0003525
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Dalton Transactions
- Additional Journal Information:
- Journal Volume: 50; Journal Issue: 30; Journal ID: ISSN 1477-9226
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Schneemann, Andreas, Jing, Yuan, Evans, Jack D., Toyao, Takashi, Hijikata, Yuh, Kamiya, Yuichi, Shimizu, Ken-ichi, Burtch, Nicholas C., and Noro, Shin-ichiro. Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures. United States: N. p., 2021.
Web. doi:10.1039/d1dt01477c.
Schneemann, Andreas, Jing, Yuan, Evans, Jack D., Toyao, Takashi, Hijikata, Yuh, Kamiya, Yuichi, Shimizu, Ken-ichi, Burtch, Nicholas C., & Noro, Shin-ichiro. Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures. United States. https://doi.org/10.1039/d1dt01477c
Schneemann, Andreas, Jing, Yuan, Evans, Jack D., Toyao, Takashi, Hijikata, Yuh, Kamiya, Yuichi, Shimizu, Ken-ichi, Burtch, Nicholas C., and Noro, Shin-ichiro. Thu .
"Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures". United States. https://doi.org/10.1039/d1dt01477c. https://www.osti.gov/servlets/purl/1845393.
@article{osti_1845393,
title = {Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures},
author = {Schneemann, Andreas and Jing, Yuan and Evans, Jack D. and Toyao, Takashi and Hijikata, Yuh and Kamiya, Yuichi and Shimizu, Ken-ichi and Burtch, Nicholas C. and Noro, Shin-ichiro},
abstractNote = {Here the trapping of paraffins is beneficial compared to selective olefin adsorption for adsorptive olefin purification from a process engineering point of view. Here we demonstrate the use of a series of Zn2(X-bdc)2(dabco) (where X-bdc2- is bdc2- = 1,4-benzenedicarboxylate with substituting groups X, DM-bdc2-= 2,5-dimethyl-1,4-benzenedicarboxylate or TM-bdc2- = 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate and dabco = diazabicyclo[2.2.2.]octane) metal-organic frameworks (MOFs) for the adsorptive removal of ethane from ethylene streams. The best performing material from this series is Zn2(TM-bdc)2(dabco) (DMOF-TM), which shows a high ethane uptake of 5.31 mmol g-1 at 110 kPa, with a good IAST selectivity of 1.88 towards ethane over ethylene. Through breakthrough measurements a high productivity of 13.1 L/kg per breakthrough is revealed with good reproducibility over five consecutive cycles. Molecular simulations show that the methyl groups of DMOF-TM are forming a van der Waals trap with the methylene groups from dabco, snuggly fitting the ethane. Further, rarely used high pressure coadsorption measurements, in pressure regimes that most scientific studies on hydrocarbon separation on MOFs ignore, reveal an increase in ethane capacity and selectivity for binary mixtures with increased pressures. The coadsorption measurements reveal good selectivity of 1.96 at 1000 kPa, which is verified also through IAST calculations up to 3000 kPa. This study overall showcases the opportunities that pore engineering by alkyl group incorporation and pressure increase offer to improve hydrocarbon separation in reticular materials.},
doi = {10.1039/d1dt01477c},
journal = {Dalton Transactions},
number = 30,
volume = 50,
place = {United States},
year = {Thu Jun 24 00:00:00 EDT 2021},
month = {Thu Jun 24 00:00:00 EDT 2021}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Alternatives to Cryogenic Distillation: Advanced Porous Materials in Adsorptive Light Olefin/Paraffin Separations
journal, April 2019
- Wang, Yuxiang; Peh, Shing Bo; Zhao, Dan
- Small, Vol. 15, Issue 25
Tuning the gate-opening pressure and particle size distribution of the switchable metal–organic framework DUT-8(Ni) by controlled nucleation in a micromixer
journal, January 2017
- Miura, Hiroki; Bon, Volodymyr; Senkovska, Irena
- Dalton Trans., Vol. 46, Issue 40
Seven chemical separations to change the world
journal, April 2016
- Sholl, David S.; Lively, Ryan P.
- Nature, Vol. 532, Issue 7600
Hierarchy in Metal–Organic Frameworks
journal, March 2020
- Feng, Liang; Wang, Kun-Yu; Willman, Jeremy
- ACS Central Science, Vol. 6, Issue 3
Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal–Organic Frameworks
journal, September 2018
- Lin, Rui-Biao; Wu, Hui; Li, Libo
- Journal of the American Chemical Society, Vol. 140, Issue 40
Rigid and Flexible: A Highly Porous Metal–Organic Framework with Unusual Guest-Dependent Dynamic Behavior
journal, September 2004
- Dybtsev, Danil N.; Chun, Hyungphil; Kim, Kimoon
- Angewandte Chemie International Edition, Vol. 43, Issue 38, p. 5033-5036
New Equation of State for Ethylene Covering the Fluid Region for Temperatures From the Melting Line to 450 K at Pressures up to 300 MPa
journal, September 2000
- Smukala, J.; Span, Roland; Wagner, Wolfgang
- Journal of Physical and Chemical Reference Data, Vol. 29, Issue 5
A Collection of More than 900 Gas Mixture Adsorption Experiments in Porous Materials from Literature Meta-Analysis
journal, December 2020
- Cai, Xuqing; Gharagheizi, Farhad; Bingel, Lukas W.
- Industrial & Engineering Chemistry Research, Vol. 60, Issue 1
Modulating Adsorption and Stability Properties in Pillared Metal–Organic Frameworks: A Model System for Understanding Ligand Effects
journal, October 2015
- Burtch, Nicholas C.; Walton, Krista S.
- Accounts of Chemical Research, Vol. 48, Issue 11
Kinetic Water Stability of an Isostructural Family of Zinc-Based Pillared Metal–Organic Frameworks
journal, January 2013
- Jasuja, Himanshu; Burtch, Nicholas C.; Huang, You-gui
- Langmuir, Vol. 29, Issue 2
Anisotropic reticular chemistry
journal, August 2020
- Xu, Wentao; Tu, Binbin; Liu, Qi
- Nature Reviews Materials, Vol. 5, Issue 10
Metal–Organic Frameworks Based on Group 3 and 4 Metals
journal, September 2020
- Feng, Liang; Pang, Jiandong; She, Ping
- Advanced Materials, Vol. 32, Issue 44
Conceptual Advances from Werner Complexes to Metal–Organic Frameworks
journal, October 2018
- Diercks, Christian S.; Kalmutzki, Markus J.; Diercks, Nicolas J.
- ACS Central Science, Vol. 4, Issue 11
Selective Adsorption of Ethane over Ethylene in PCN-245: Impacts of Interpenetrated Adsorbent
journal, February 2018
- Lv, Daofei; Shi, Renfeng; Chen, Yongwei
- ACS Applied Materials & Interfaces, Vol. 10, Issue 9
A Universal Standard Archive File for Adsorption Data
journal, April 2021
- Evans, Jack D.; Bon, Volodymyr; Senkovska, Irena
- Langmuir, Vol. 37, Issue 14
Doubly Interpenetrated Metal–Organic Framework of pcu Topology for Selective Separation of Propylene from Propane
journal, October 2020
- Liu, Ting; Cui, Hui; Zhang, Xin
- ACS Applied Materials & Interfaces, Vol. 12, Issue 43
Low-Energy Selective Capture of Carbon Dioxide by a Pre-designed Elastic Single-Molecule Trap
journal, September 2012
- Wriedt, Mario; Sculley, Julian P.; Yakovenko, Andrey A.
- Angewandte Chemie International Edition, Vol. 51, Issue 39
Energy-efficient separation alternatives: metal–organic frameworks and membranes for hydrocarbon separation
journal, January 2020
- Yang, Lifeng; Qian, Siheng; Wang, Xiaobing
- Chemical Society Reviews, Vol. 49, Issue 15
Gas Separation by Adsorption Processes
book, June 1997
- Yang, Ralph T.
- Series on Chemical Engineering
Pore Engineering for One-Step Ethylene Purification from a Three-Component Hydrocarbon Mixture
journal, January 2021
- Zhu, Baoyong; Cao, Jian-Wei; Mukherjee, Soumya
- Journal of the American Chemical Society, Vol. 143, Issue 3
Kinetic Separation of Propene and Propane in Metal−Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios
journal, April 2011
- Lee, Chang Yeon; Bae, Youn-Sang; Jeong, Nak Cheon
- Journal of the American Chemical Society, Vol. 133, Issue 14
Tuning the Structures of Metal–Organic Frameworks via a Mixed-Linker Strategy for Ethylene/Ethane Kinetic Separation
journal, April 2020
- Lyndon, Richelle; You, Wenqin; Ma, Yao
- Chemistry of Materials, Vol. 32, Issue 9
A practical guide to calculate the isosteric heat/enthalpy of adsorption via adsorption isotherms in metal–organic frameworks, MOFs
journal, January 2020
- Nuhnen, Alexander; Janiak, Christoph
- Dalton Transactions, Vol. 49, Issue 30
A Robust Ethane-Trapping Metal–Organic Framework with a High Capacity for Ethylene Purification
journal, March 2019
- Qazvini, Omid T.; Babarao, Ravichandar; Shi, Zhao-Lin
- Journal of the American Chemical Society, Vol. 141, Issue 12
Moisture stability of ethane‐selective Ni(II), Fe(III), Zr(IV)‐based metal–organic frameworks
journal, April 2019
- Lv, Daofei; Chen, Jiayu; Chen, Yongwei
- AIChE Journal, Vol. 65, Issue 8
Modulating Metal−Organic Frameworks To Breathe: A Postsynthetic Covalent Modification Approach
journal, November 2009
- Wang, Zhenqiang; Cohen, Seth M.
- Journal of the American Chemical Society, Vol. 131, Issue 46, p. 16675-16677
AlMepO-α: A Novel Open-Framework Aluminum Methylphosphonate with Organo-Lined Unidimensional Channels
journal, June 1995
- Maeda, Kazuyuki; Akimoto, Junji; Kiyozumi, Yoshimichi
- Angewandte Chemie International Edition in English, Vol. 34, Issue 11
M 2 ( m -dobdc) (M = Mn, Fe, Co, Ni) Metal–Organic Frameworks as Highly Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations
journal, October 2017
- Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.
- Journal of the American Chemical Society, Vol. 139, Issue 43
Pore Chemistry of Metal–Organic Frameworks
journal, May 2020
- Ji, Zhe; Wang, Haoze; Canossa, Stefano
- Advanced Functional Materials, Vol. 30, Issue 41
Porous Coordination Polymer Hybrid Device with Quartz Oscillator: Effect of Crystal Size on Sorption Kinetics
journal, August 2011
- Uehara, Hiromitsu; Diring, Stéphane; Furukawa, Shuhei
- Journal of the American Chemical Society, Vol. 133, Issue 31
Tuning Thermal Expansion in Metal–Organic Frameworks Using a Mixed Linker Solid Solution Approach
journal, July 2019
- Baxter, Samuel J.; Schneemann, Andreas; Ready, Austin D.
- Journal of the American Chemical Society, Vol. 141, Issue 32
An Ultramicroporous Metal–Organic Framework for High Sieving Separation of Propylene from Propane
journal, September 2020
- Liang, Bin; Zhang, Xin; Xie, Yi
- Journal of the American Chemical Society, Vol. 142, Issue 41
Efficient purification of ethene by an ethane-trapping metal-organic framework
journal, October 2015
- Liao, Pei-Qin; Zhang, Wei-Xiong; Zhang, Jie-Peng
- Nature Communications, Vol. 6, Issue 1
Data Mining for Binary Separation Materials in Published Adsorption Isotherms
journal, January 2020
- Iacomi, Paul; Llewellyn, Philip L.
- Chemistry of Materials, Vol. 32, Issue 3
Adsorptive separation of C2H6/C2H4 on metal-organic frameworks (MOFs) with pillared-layer structures
journal, July 2020
- Xiang, Huan; Shao, Yan; Ameen, Ahmed
- Separation and Purification Technology, Vol. 242
A metal-organic framework-based splitter for separating propylene from propane
journal, July 2016
- Cadiau, A.; Adil, K.; Bhatt, P. M.
- Science, Vol. 353, Issue 6295
Influence of Solvent-Like Sidechains on the Adsorption of Light Hydrocarbons in Metal-Organic Frameworks
journal, November 2015
- Schneemann, Andreas; Bloch, Eric D.; Henke, Sebastian
- Chemistry - A European Journal, Vol. 21, Issue 51
Simultaneous Trapping of C 2 H 2 and C 2 H 6 from a Ternary Mixture of C 2 H 2 /C 2 H 4 /C 2 H 6 in a Robust Metal-Organic Framework for the Purification of C 2 H 4
journal, November 2018
- Hao, Hong-Guo; Zhao, Yun-Feng; Chen, Di-Ming
- Angewandte Chemie International Edition, Vol. 57, Issue 49
Molecular Sieving of Ethane from Ethylene through the Molecular Cross-Section Size Differentiation in Gallate-based Metal-Organic Frameworks
journal, November 2018
- Bao, Zongbi; Wang, Jiawei; Zhang, Zhiguo
- Angewandte Chemie International Edition, Vol. 57, Issue 49
Olefin/paraffin separation technology: a review
journal, October 1993
- Eldridge, R. Bruce
- Industrial & Engineering Chemistry Research, Vol. 32, Issue 10
Enhancement of Ethane Selectivity in Ethane–Ethylene Mixtures by Perfluoro Groups in Zr-Based Metal-Organic Frameworks
journal, July 2019
- Pires, João; Fernandes, Joana; Dedecker, Kevin
- ACS Applied Materials & Interfaces, Vol. 11, Issue 30
Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory
journal, November 2016
- Heinen, Jurn; Burtch, Nicholas C.; Walton, Krista S.
- Chemistry - A European Journal, Vol. 22, Issue 50
The osmotic framework adsorbed solution theory: predicting mixture coadsorption in flexible nanoporous materials
journal, January 2010
- Coudert, François-Xavier
- Physical Chemistry Chemical Physics, Vol. 12, Issue 36
Thermodynamics of mixed-gas adsorption
journal, January 1965
- Myers, A. L.; Prausnitz, J. M.
- AIChE Journal, Vol. 11, Issue 1, p. 121-127
Coordinated Water as New Binding Sites for the Separation of Light Hydrocarbons in Metal–Organic Frameworks with Open Metal Sites
journal, January 2020
- Vervoorts, Pia; Schneemann, Andreas; Hante, Inke
- ACS Applied Materials & Interfaces, Vol. 12, Issue 8
Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites
journal, October 2018
- Li, Libo; Lin, Rui-Biao; Krishna, Rajamani
- Science, Vol. 362, Issue 6413
Control of structural flexibility of layered-pillared metal-organic frameworks anchored at surfaces
journal, January 2019
- Wannapaiboon, Suttipong; Schneemann, Andreas; Hante, Inke
- Nature Communications, Vol. 10, Issue 1
Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
journal, March 2012
- Bloch, E. D.; Queen, W. L.; Krishna, R.
- Science, Vol. 335, Issue 6076, p. 1606-1610
Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane–Ethylene Separation
journal, January 2020
- Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani
- Journal of the American Chemical Society, Vol. 142, Issue 5
Ultrahigh porosity in mesoporous MOFs: promises and limitations
journal, January 2014
- Senkovska, Irena; Kaskel, Stefan
- Chemical Communications, Vol. 50, Issue 54
Investigating water and framework dynamics in pillared MOFs
journal, April 2015
- Burtch, Nicholas C.; Dubbeldam, David; Walton, Krista S.
- Molecular Simulation, Vol. 41, Issue 16-17
Synthesis, X-ray Crystal Structures, and Gas Sorption Properties of Pillared Square Grid Nets Based on Paddle-Wheel Motifs: Implications for Hydrogen Storage in Porous Materials
journal, June 2005
- Chun, Hyungphil; Dybtsev, Danil N.; Kim, Hyunuk
- Chemistry - A European Journal, Vol. 11, Issue 12
Ethane Selective IRMOF-8 and Its Significance in Ethane–Ethylene Separation by Adsorption
journal, July 2014
- Pires, João; Pinto, Moisés L.; Saini, Vipin K.
- ACS Applied Materials & Interfaces, Vol. 6, Issue 15
Capture and Separation of SO 2 Traces in Metal–Organic Frameworks via Pre‐Synthetic Pore Environment Tailoring by Methyl Groups
journal, July 2021
- Xing, Shanghua; Liang, Jun; Brandt, Philipp
- Angewandte Chemie International Edition
Isoreticular Three-Dimensional Kagome Metal–Organic Frameworks with Open-Nitrogen-Donor Pillars for Selective Gas Adsorption
journal, April 2020
- Dinh, Andy; Yang, Huajun; Peng, Fang
- Crystal Growth & Design, Vol. 20, Issue 5
Characteristics of flexibility in metal-organic framework solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2−xdabco]n: In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations
journal, November 2015
- Bon, Volodymyr; Pallmann, Julia; Eisbein, Emanuel
- Microporous and Mesoporous Materials, Vol. 216
Highly Adsorptive Separation of Ethane/Ethylene by An Ethane-Selective MOF MIL-142A
journal, March 2018
- Chen, Yongwei; Wu, Houxiao; Lv, Daofei
- Industrial & Engineering Chemistry Research, Vol. 57, Issue 11
Digital Reticular Chemistry
journal, September 2020
- Lyu, Hao; Ji, Zhe; Wuttke, Stefan
- Chem, Vol. 6, Issue 9
Automated exploration of the low-energy chemical space with fast quantum chemical methods
journal, January 2020
- Pracht, Philipp; Bohle, Fabian; Grimme, Stefan
- Physical Chemistry Chemical Physics, Vol. 22, Issue 14
The chemistry of multi-component and hierarchical framework compounds
journal, January 2019
- Feng, Liang; Wang, Kun-Yu; Day, Gregory S.
- Chemical Society Reviews, Vol. 48, Issue 18
Crystal engineering of porous coordination networks to enable separation of C2 hydrocarbons
journal, January 2020
- Mukherjee, Soumya; Sensharma, Debobroto; Chen, Kai-Jie
- Chemical Communications, Vol. 56, Issue 72
Multipurpose Metal–Organic Framework for the Adsorption of Acetylene: Ethylene Purification and Carbon Dioxide Removal
journal, June 2019
- Qazvini, Omid T.; Babarao, Ravichandar; Telfer, Shane G.
- Chemistry of Materials, Vol. 31, Issue 13
A robust Th-azole framework for highly efficient purification of C2H4 from a C2H4/C2H2/C2H6 mixture
journal, June 2020
- Xu, Zhenzhen; Xiong, Xiaohong; Xiong, Jianbo
- Nature Communications, Vol. 11, Issue 1
Understanding DABCO Nanorotor Dynamics in Isostructural Metal–Organic Frameworks
journal, February 2015
- Burtch, Nicholas C.; Torres-Knoop, Ariana; Foo, Guo Shiou
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 5
Experimental and computational studies on propane-propylene separation by adsorption and variable-temperature stepwise desorption
journal, January 1990
- Shu, C. M.; Kulvaranon, S.; Findley, M. E.
- Separations Technology, Vol. 1, Issue 1
Predicting Mixture Coadsorption in Soft Porous Crystals: Experimental and Theoretical Study of CO 2 /CH 4 in MIL-53(Al)
journal, December 2011
- Ortiz, Aurélie U.; Springuel-Huet, Marie-Anne; Coudert, François-Xavier
- Langmuir, Vol. 28, Issue 1
Two-Step Adsorption/Desorption on a Jungle-Gym-Type Porous Coordination Polymer
journal, September 2007
- Uemura, Kazuhiro; Yamasaki, Yukari; Komagawa, Yuki
- Angewandte Chemie International Edition, Vol. 46, Issue 35
Thermophysical Properties of Ethane
journal, March 1991
- Friend, Daniel G.; Ingham, Hepburn; Fly, James F.
- Journal of Physical and Chemical Reference Data, Vol. 20, Issue 2
Selective adsorption of ethylene over ethane and propylene over propane in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
journal, January 2013
- Geier, Stephen J.; Mason, Jarad A.; Bloch, Eric D.
- Chemical Science, Vol. 4, Issue 5
Recent Progress Towards Light Hydrocarbon Separations Using Metal–Organic Frameworks
journal, May 2019
- Barnett, Brandon R.; Gonzalez, Miguel I.; Long, Jeffrey R.
- Trends in Chemistry, Vol. 1, Issue 2
Influence of Co-adsorbates on CO 2 induced phase transition in functionalized pillared-layered metal–organic frameworks
journal, January 2016
- Schneemann, Andreas; Takahashi, Yukiko; Rudolf, Robin
- Journal of Materials Chemistry A, Vol. 4, Issue 33
Co-adsorption and Separation of CO 2 −CH 4 Mixtures in the Highly Flexible MIL-53(Cr) MOF
journal, November 2009
- Hamon, Lomig; Llewellyn, Philip L.; Devic, Thomas
- Journal of the American Chemical Society, Vol. 131, Issue 47
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
journal, January 2019
- Bannwarth, Christoph; Ehlert, Sebastian; Grimme, Stefan
- Journal of Chemical Theory and Computation, Vol. 15, Issue 3
Prediction of Breathing and Gate-Opening Transitions Upon Binary Mixture Adsorption in Metal−Organic Frameworks
journal, August 2009
- Coudert, François-Xavier; Mellot-Draznieks, Caroline; Fuchs, Alain H.
- Journal of the American Chemical Society, Vol. 131, Issue 32
Ethene/Ethane and Propene/Propane Separation via the Olefin and Paraffin Selective Metal–Organic Framework Adsorbents CPO-27 and ZIF-8
journal, June 2013
- Böhme, Ulrike; Barth, Benjamin; Paula, Carolin
- Langmuir, Vol. 29, Issue 27
Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems
journal, May 2020
- Spicher, Sebastian; Grimme, Stefan
- Angewandte Chemie International Edition, Vol. 59, Issue 36
Directing the Breathing Behavior of Pillared-Layered Metal–Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents
journal, May 2012
- Henke, Sebastian; Schneemann, Andreas; Wütscher, Annika
- Journal of the American Chemical Society, Vol. 134, Issue 22
Amino‐Functionalised Hybrid Ultramicroporous Materials that Enable Single‐Step Ethylene Purification from a Ternary Mixture
journal, April 2021
- Mukherjee, Soumya; Kumar, Naveen; Bezrukov, Andrey A.
- Angewandte Chemie International Edition, Vol. 60, Issue 19
Adsorptive separation of light olefins from paraffins
journal, August 2007
- Ruthven, Douglas M.; Reyes, Sebastian C.
- Microporous and Mesoporous Materials, Vol. 104, Issue 1-3
Pure and mixed gas adsorption of CH4 and N2 on the metal–organic framework Basolite® A100 and a novel copper-based 1,2,4-triazolyl isophthalate MOF
journal, January 2012
- Möllmer, Jens; Lange, Marcus; Möller, Andreas
- Journal of Materials Chemistry, Vol. 22, Issue 20
Nanospace Engineering of Metal–Organic Frameworks through Dynamic Spacer Installation of Multifunctionalities for Efficient Separation of Ethane from Ethane/Ethylene Mixtures
journal, March 2021
- Chen, Cheng‐Xia; Wei, Zhang‐Wen; Pham, Tony
- Angewandte Chemie International Edition, Vol. 60, Issue 17
Molecular sieving of ethylene from ethane using a rigid metal–organic framework
journal, November 2018
- Lin, Rui-Biao; Li, Libo; Zhou, Hao-Long
- Nature Materials, Vol. 17, Issue 12
Ethane selective adsorbent Ni(bdc)(ted)0.5 with high uptake and its significance in adsorption separation of ethane and ethylene
journal, July 2016
- Liang, Wanwen; Xu, Feng; Zhou, Xin
- Chemical Engineering Science, Vol. 148
Gas/vapour separation using ultra-microporous metal–organic frameworks: insights into the structure/separation relationship
journal, January 2017
- Adil, Karim; Belmabkhout, Youssef; Pillai, Renjith S.
- Chemical Society Reviews, Vol. 46, Issue 11
Ethane/Ethene Separation Turned on Its Head: Selective Ethane Adsorption on the Metal−Organic Framework ZIF-7 through a Gate-Opening Mechanism
journal, December 2010
- Gücüyener, Canan; van den Bergh, Johan; Gascon, Jorge
- Journal of the American Chemical Society, Vol. 132, Issue 50
Adsorptive Separation of Olefin/Paraffin Mixtures with ZIF-4
journal, November 2015
- Hartmann, Martin; Böhme, Ulrike; Hovestadt, Maximilian
- Langmuir, Vol. 31, Issue 45
Impact of Crystal Size and Morphology on Switchability Characteristics in Pillared-Layer Metal-Organic Framework DUT-8(Ni)
journal, May 2021
- Abylgazina, Leila; Senkovska, Irena; Engemann, Richard
- Frontiers in Chemistry, Vol. 9
An ethane-trapping MOF PCN-250 for highly selective adsorption of ethane over ethylene
journal, January 2018
- Chen, Yongwei; Qiao, Zhiwei; Wu, Houxiao
- Chemical Engineering Science, Vol. 175
Screening metal–organic frameworks for mixture separations in fixed-bed adsorbers using a combined selectivity/capacity metric
journal, January 2017
- Krishna, Rajamani
- RSC Advances, Vol. 7, Issue 57
Negative Thermal Expansion Design Strategies in a Diverse Series of Metal–Organic Frameworks
journal, September 2019
- Burtch, Nicholas C.; Baxter, Samuel J.; Heinen, Jurn
- Advanced Functional Materials, Vol. 29, Issue 48
Strategies for Pore Engineering in Zirconium Metal-Organic Frameworks
journal, November 2020
- Feng, Liang; Day, Gregory S.; Wang, Kun-Yu
- Chem, Vol. 6, Issue 11
Synergistic sorbent separation for one-step ethylene purification from a four-component mixture
journal, October 2019
- Chen, Kai-Jie; Madden, David G.; Mukherjee, Soumya
- Science, Vol. 366, Issue 6462
Selective Gas Adsorption in Highly Porous Chromium(II)-Based Metal–Organic Polyhedra
journal, October 2017
- Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.
- Chemistry of Materials, Vol. 29, Issue 20
Competitive Coadsorption of CO 2 with H 2 O, NH 3 , SO 2 , NO, NO 2 , N 2 , O 2 , and CH 4 in M-MOF-74 (M = Mg, Co, Ni): The Role of Hydrogen Bonding
journal, March 2015
- Tan, Kui; Zuluaga, Sebastian; Gong, Qihan
- Chemistry of Materials, Vol. 27, Issue 6
Selective Paraffin Removal from Ethane/Ethylene Mixtures by Adsorption into Aluminum Methylphosphonate-α: A Molecular Simulation Study
journal, January 2009
- Kroon, Maaike C.; Vega, Lourdes F.
- Langmuir, Vol. 25, Issue 4