Three metal–organic framework isomers of different pore sizes for selective CO2 adsorption and isomerization studies

Rui Zhang, Ju-Hua Huang, De-Xian Meng, Fa-Yuan Ge, Li-Fei Wang, Yong-Kai Xu, Xing-Gui Liu, Mei-Mei Meng, Zhen-Zhong Lu, He-Gen Zheng and Wei Huang

Dalton Trans., 2020, 49, 5618
DOI: 10.1039/D0DT00793E

Insights into the thermodynamic–kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy–enthalpy balanced adsorption sites

Yunjia Jiang, Lingyao Wang, Tongan Yan, Jianbo Hu, Wanqi Sun, Rajamani Krishna, Dongmei Wang, Zonglin Gu, Dahuan Liu, Xili Cui, Huabin Xing and Yuanbin Zhang

Chem. Sci., 2023, 14, 298
DOI: 10.1039/D2SC05742E

Highly selective adsorption of p-xylene over other C8 aromatic hydrocarbons by Co-CUK-1: a combined experimental and theoretical assessment

Ji Woong Yoon, Ji Sun Lee, Graham W. Piburn, Kyoung Ho Cho, Keonghee Jeon, Hyung-Kyu Lim, Hyungjun Kim, Chul-Ho Jun, Simon M. Humphrey, Rajamani Krishna and Jong-San Chang

Dalton Trans., 2017, 46, 16096
DOI: 10.1039/C7DT03304D

A generalized van der Waals model for light gas adsorption prediction in IRMOFs

Lingli Kong and Hertanto Adidharma

Phys. Chem. Chem. Phys., 2019, 21, 8906
DOI: 10.1039/C9CP00285E

Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures

Andreas Schneemann, Yuan Jing, Jack D. Evans, Takashi Toyao, Yuh Hijikata, Yuichi Kamiya, Ken-ichi Shimizu, Nicholas C. Burtch and Shin-ichiro Noro

Dalton Trans., 2021, 50, 10423
DOI: 10.1039/D1DT01477C

A scalable stable porous coordination polymer synthesized from low-cost precursors for efficient C2H2/C2H4 separation

Hengcong Huang, Yifan Gu, Luyao Wang, Tao Jia, Susumu Kitagawa and Fengting Li

Green Chem., 2023, 25, 8040
DOI: 10.1039/D3GC01114C

A Zn based metal organic framework nanocomposite: synthesis, characterization and application for preconcentration of cadmium prior to its determination by FAAS

Zahra Nazari, Mohammad Ali Taher and Hamid Fazelirad

RSC Adv., 2017, 7, 44890
DOI: 10.1039/C7RA08354H

Commensurate–incommensurate adsorption and diffusion in ordered crystalline microporous materials

Rajamani Krishna and Jasper M. van Baten

Phys. Chem. Chem. Phys., 2017, 19, 20320
DOI: 10.1039/C7CP04101B

Metal–organic frameworks for petroleum-based platform compound separations

Xiaolai Zhang, Xiaokang Wang, Fei Gao, Yue Chen, Hongyan Liu, Pengfei Zhou, Zixi Kang, Yutong Wang and Weidong Fan

Mater. Adv., 2024, 5, 3135
DOI: 10.1039/D3MA01085F

Process-level modelling and optimization to evaluate metal–organic frameworks for post-combustion capture of CO2

Daison Yancy-Caballero, Karson T. Leperi, Benjamin J. Bucior, Rachelle K. Richardson, Timur Islamoglu, Omar K. Farha, Fengqi You and Randall Q. Snurr

Mol. Syst. Des. Eng., 2020, 5, 1205
DOI: 10.1039/D0ME00060D

Engineering metal–organic frameworks for adsorption-based gas separations: from process to atomic scale

Marco Taddei and Camille Petit

Mol. Syst. Des. Eng., 2021, 6, 841
DOI: 10.1039/D1ME00085C

An aliphatic MOF with a molecular sieving effect for efficient C2H2/C2H4 separation

Xianzhen Li, Chen Cao, Ziwen Fan, Jianfa Liu, Tony Pham, Katherine A. Forrest and Zheng Niu

Dalton Trans., 2023, 52, 15338
DOI: 10.1039/D3DT01419C

The application of amine-based materials for carbon capture and utilisation: an overarching view

Louise B. Hamdy, Chitrakshi Goel, Jennifer A. Rudd, Andrew R. Barron and Enrico Andreoli

Mater. Adv., 2021, 2, 5843
DOI: 10.1039/D1MA00360G

Pre-design and synthesis of a five-fold interpenetrated pcu-type porous coordination polymer and its CO2/CO separation

Haifei Cao, Suna Wang, Yang Wang, HongLiang Lyu, Rajamani Krishna, Zhiyong Lu, Jingui Duan and Wanqin Jin

CrystEngComm, 2017, 19, 6927
DOI: 10.1039/C7CE01649B

Recent advances in software tools for adsorption science and engineering

Seongbin Ga and Yongchul G. Chung

Mol. Syst. Des. Eng., 2022, 7, 686
DOI: 10.1039/D2ME00036A

High-Throughput, Multiscale Computational Screening of Metal–Organic Frameworks for Xe/Kr Separation with Machine-Learned Parameters

Guobin Zhao, Yu Chen and Yongchul G. Chung

Ind. Eng. Chem. Res., 2023, 62, 15176
DOI: 10.1021/acs.iecr.3c02211

Prediction of Xe/Kr Separation in Metal-Organic Frameworks by a Precursor-Based Neural Network Synergistic with a Polarizable Adsorbate Model

Zewei Liu, Qibin Xia, Bichun Huang, Hao Yi, Jian Yan, Xin Chen, Feng Xu and Hongxia Xi

Molecules, 2023, 28, 7367
DOI: 10.3390/molecules28217367

Efficient separation of methanol-to-olefins products using a metal-organic framework with supramolecular binding sites

Zhengyi Di, Zhenyu Ji, Cheng Chen, Rajamani Krishna, Daqiang Yuan, Maochun Hong and Mingyan Wu

Chemical Engineering Journal, 2024, 493, 152442
DOI: 10.1016/j.cej.2024.152442

How Reliable Is the Ideal Adsorbed Solution Theory for the Estimation of Mixture Separation Selectivities in Microporous Crystalline Adsorbents?

Rajamani Krishna and Jasper M. van Baten

ACS Omega, 2021, 6, 15499
DOI: 10.1021/acsomega.1c02136

Interpenetration Symmetry Control Within Ultramicroporous Robust Boron Cluster Hybrid MOFs for Benchmark Purification of Acetylene from Carbon Dioxide

Lingyao Wang, Wanqi Sun, Yuanbin Zhang, Nuo Xu, Rajamani Krishna, Jianbo Hu, Yunjia Jiang, Yabing He and Huabin Xing

Angewandte Chemie, 2021, 133, 23047
DOI: 10.1002/ange.202107963

Selective separation of propane from the propylene-propane mixture using pure silica zeolites: A molecular dynamic simulation

Sara Abbasi, Mohammad Reza Khosravi-Nikou and Ahmad Shariati

Chemical Engineering and Processing - Process Intensification, 2023, 184, 109294
DOI: 10.1016/j.cep.2023.109294

Advances in adsorptive separation of benzene and cyclohexane by metal-organic framework adsorbents

Soumya Mukherjee, Debobroto Sensharma, Omid T. Qazvini, Subhajit Dutta, Lauren K. Macreadie, Sujit K. Ghosh and Ravichandar Babarao

Coordination Chemistry Reviews, 2021, 437, 213852
DOI: 10.1016/j.ccr.2021.213852

A robust perylene diimide-based zirconium metal–organic framework for preferential adsorption of ethane over ethylene

Jing-Jing Li, Si-Yi Liu, Guoliang Liu, Yu-Guo Liu, Guan-Zhou Wu, Hua-Dong Li, Rajamani Krishna, Xiao-Qin Liu and Lin-Bing Sun

Separation and Purification Technology, 2023, 320, 124109
DOI: 10.1016/j.seppur.2023.124109

Design of Pore Properties of an Al-Based Metal–Organic Framework for the Separation of an Ethane/Ethylene Gas Mixture via Ethane-Selective Adsorption

Kyung Ho Cho, Ji Woong Yoon, Jeong Hyeon Lee, Jin Chul Kim, Donghui Jo, Jaedeuk Park, Su-Kyung Lee, Sang Kyu Kwak and U-Hwang Lee

ACS Appl. Mater. Interfaces, 2023, 15, 30975
DOI: 10.1021/acsami.3c03971

Optimal Pore Chemistry in an Ultramicroporous Metal–Organic Framework for Benchmark Inverse CO2/C2H2 Separation

Zhaoqiang Zhang, Shing Bo Peh, Rajamani Krishna, Chengjun Kang, Kungang Chai, Yuxiang Wang, Dongchen Shi and Dan Zhao

Angewandte Chemie, 2021, 133, 17335
DOI: 10.1002/ange.202106769

Efficient Separation of Methanol‐to‐Olefins Products Using a Robust Polycatenated Hydrogen‐Bonded Organic Framework

Shengjie Lin, Peiren Ke, Limin Wang, Ye Liang, Jianbo Hu, Lin Zhang, Zhenyi Zhang, Yabing He and Banglin Chen

Angewandte Chemie, 2025, 137
DOI: 10.1002/ange.202511773

Bromine functionalization of metal–organic frameworks to improve ethane/ethylene separation

Yejin Han, Kyung Ho Cho, Su-Kyung Lee, Ji Woong Yoon, Youn-Sang Bae, Donghui Jo and U-Hwang Lee

Microporous and Mesoporous Materials, 2024, 366, 112958
DOI: 10.1016/j.micromeso.2023.112958

Guest-dependent pressure induced gate-opening effect enables effective separation of propene and propane in a flexible MOF

Xiaoqing Wang, Rajamani Krishna, Libo Li, Bin Wang, Tao He, Yong-Zheng Zhang, Jian-Rong Li and Jinping Li

Chemical Engineering Journal, 2018, 346, 489
DOI: 10.1016/j.cej.2018.03.163

Do New MOFs Perform Better for CO2 Capture and H2 Purification? Computational Screening of the Updated MOF Database

Gokay Avci, Ilknur Erucar and Seda Keskin

ACS Appl. Mater. Interfaces, 2020, 12, 41567
DOI: 10.1021/acsami.0c12330

Optimal Pore Chemistry in an Ultramicroporous Metal–Organic Framework for Benchmark Inverse CO2/C2H2 Separation

Zhaoqiang Zhang, Shing Bo Peh, Rajamani Krishna, Chengjun Kang, Kungang Chai, Yuxiang Wang, Dongchen Shi and Dan Zhao

Angew Chem Int Ed, 2021, 60, 17198
DOI: 10.1002/anie.202106769

Analysis of a Batch Adsorber Analogue for Rapid Screening of Adsorbents for Postcombustion CO2 Capture

Vishal Subramanian Balashankar, Ashwin Kumar Rajagopalan, Ruben de Pauw, Adolfo M. Avila and Arvind Rajendran

Ind. Eng. Chem. Res., 2019, 58, 3314
DOI: 10.1021/acs.iecr.8b05420

Highly selective adsorption of light hydrocarbons in a HKUST-like MOF constructed from spirobifluorene-based octacarboxylate ligand by a substitution strategy

Xinli Shi, Yucong Zu, Xilin Li, Tongyi Zhao, Hao Ren and Fuxing Sun

Nano Res., 2023, 16, 10652
DOI: 10.1007/s12274-023-5634-x

Metrics for Evaluation and Screening of Metal–Organic Frameworks for Applications in Mixture Separations

Rajamani Krishna

ACS Omega, 2020, 5, 16987
DOI: 10.1021/acsomega.0c02218

AIM: A user-friendly GUI workflow program for isotherm fitting, mixture prediction, isosteric heat of adsorption estimation, and breakthrough simulation

Muhammad Hassan, Sunghyun Yoon, Yu Chen, Pilseok Kim, Hongryeol Yun, Hyuk Taek Kwon, Youn-Sang Bae, Chung-Yul Yoo, Dong-Yeun Koh, Chang Seop Hong, Ki Bong Lee and Yongchul G. Chung

Computer Physics Communications, 2026, 319, 109944
DOI: 10.1016/j.cpc.2025.109944

Atmospheric carbon dioxide capture by adsorption on amine-functionalized silica composites: a review

Rahul Navik, Eryu Wang, Xiao Ding, KaiXuan Qiu and Jia Li

Environ Chem Lett, 2024, 22, 1791
DOI: 10.1007/s10311-024-01737-z

Using Molecular Simulations for Elucidation of Thermodynamic Nonidealities in Adsorption of CO2-Containing Mixtures in NaX Zeolite

Rajamani Krishna and Jasper M. van Baten

ACS Omega, 2020, 5, 20535
DOI: 10.1021/acsomega.0c02730

Rational Design of Microporous MOFs with Anionic Boron Cluster Functionality and Cooperative Dihydrogen Binding Sites for Highly Selective Capture of Acetylene

Yuanbin Zhang, Jianbo Hu, Rajamani Krishna, Lingyao Wang, Lifeng Yang, Xili Cui, Simon Duttwyler and Huabin Xing

Angew Chem Int Ed, 2020, 59, 17664
DOI: 10.1002/anie.202007681

Predicting adsorption and separation performance indicators of Xe/Kr in metal-organic frameworks via a precursor-based neural network model

Zewei Liu, Kai Zhang, Qibin Xia, Xiujun Wang, Bichun Huang and Hongxia Xi

Chemical Engineering Science, 2021, 243, 116772
DOI: 10.1016/j.ces.2021.116772

A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification

Miao Chang, Jiahao Ren, Yan Wei, Jie-Xin Wang, Qingyuan Yang, Dahuan Liu and Jian-Feng Chen

Separation and Purification Technology, 2021, 279, 119656
DOI: 10.1016/j.seppur.2021.119656

Comprehensive Pore Tuning in an Ultrastable Fluorinated Anion Cross‐Linked Cage‐Like MOF for Simultaneous Benchmark Propyne Recovery and Propylene Purification

Yunjia Jiang, Jianbo Hu, Lingyao Wang, Wanqi Sun, Nuo Xu, Rajamani Krishna, Simon Duttwyler, Xili Cui, Huabin Xing and Yuanbin Zhang

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202200947

Tubular porous coordination polymer for selective adsorption of CO2

Mei-Mei Meng, Ji-Ming Xi, Rui Zhu, Li-Fei Wang, Yong-Kai Xu, Xing-Gui Liu, Rui Zhang and Zhen-Zhong Lu

Inorganic Chemistry Communications, 2021, 132, 108798
DOI: 10.1016/j.inoche.2021.108798

Flexible-robust interlayer space in a 2D metal–organic framework for light hydrocarbons separation

Peng-Dan Zhang, Jing-Hao Liu, Xue-Qian Wu, Yabo Xie, Jiamei Yu and Jian-Rong Li

Separation and Purification Technology, 2024, 333, 125791
DOI: 10.1016/j.seppur.2023.125791

Preparation of benzodiimidazole-containing covalent triazine frameworks for enhanced selective CO2 capture and separation

Jianfeng Du, Yuanzheng Cui, Yuchuan Liu, Rajamani Krishna, Yue Yu, Shun Wang, Chenghui Zhang, Xiaowei Song and Zhiqiang Liang

Microporous and Mesoporous Materials, 2019, 276, 213
DOI: 10.1016/j.micromeso.2018.10.001

An Isomeric Copper‐Diisophthalate Framework Platform for Storage and Purification of C2H2 and Exploration of the Positional Effect of the Methyl Group

Shengjie Lin, Lihui Fan, Ping Zhou, Tingting Xu, Zhenzhen Jiang, Simin Hu, Jingxian Chen and Yabing He

Eur J Inorg Chem, 2021, 2021, 2070
DOI: 10.1002/ejic.202100205

Enhancing CO2 Adsorption and Separation Properties of Aluminophosphate Zeolites by Isomorphous Heteroatom Substitutions

Yue Yu, Xu Li, Rajamani Krishna, Yuchuan Liu, Yuanzheng Cui, Jianfeng Du, Zhiqiang Liang, Xiaowei Song and Jihong Yu

ACS Appl. Mater. Interfaces, 2018, 10, 43570
DOI: 10.1021/acsami.8b11235

Synergistic Binding Sites in a Robust and Scalable Metal–Organic Framework for Record CH4 Capture

Miao Chang, Yongsong Li, Minman Tong, Jing Yang, Tianlin Ma, Yujie Wang and Jiandong Zheng

Small, 2025, 21
DOI: 10.1002/smll.202412121

Substituent Engineering-Enabled Structural Rigidification and Performance Improvement for C2/CO2 Separation in Three Isoreticular Coordination Frameworks

Lianglan Yue, Xinxin Wang, Chao Lv, Ting Zhang, Bing Li, De-Li Chen and Yabing He

Inorg. Chem., 2022, 61, 21076
DOI: 10.1021/acs.inorgchem.2c03657

Adsorption-based direct air capture using hierarchical porous composites prepared via confined-space crystallization

Gabriela C. del Valle-Pérez, Juan Carlos Muñoz-Senmache, Sebastián Espiña-Santiago, Erick M. Mendez-Rios, Kim Kisslinger and Arturo J. Hernández-Maldonado

Chemical Engineering Journal, 2026, 530, 173627
DOI: 10.1016/j.cej.2026.173627

High-Throughput Screening of MOF Adsorbents and Membranes for H2 Purification and CO2 Capture

Gokay Avci, Sadiye Velioglu and Seda Keskin

ACS Appl. Mater. Interfaces, 2018, 10, 33693
DOI: 10.1021/acsami.8b12746

Active Sites Decorated Nonpolar Pore‐Based MOF for One‐step Acquisition of C2H4 and Recovery of C3H6

Gang‐Ding Wang, Yong‐Zhi Li, Wen‐Juan Shi, Lei Hou, Yao‐Yu Wang and Zhonghua Zhu

Angew Chem Int Ed, 2023, 62
DOI: 10.1002/anie.202311654

Desolvation-Degree-Induced Structural Dynamics in a Rigid Cerium–Organic Framework Exhibiting Tandem Purification of Ethylene from Acetylene and Ethane

Han Fang, Bin Zheng, Zong-Hui Zhang, Peng-Bo Jin, Hong-Xin Li, Yan-Zhen Zheng and Dong-Xu Xue

ACS Appl. Mater. Interfaces, 2022, 14, 44460
DOI: 10.1021/acsami.2c13500

Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane–Ethylene Separation

Huajun Yang, Yanxiang Wang, Rajamani Krishna, Xiaoxia Jia, Yong Wang, Anh N. Hong, Candy Dang, Henry E. Castillo, Xianhui Bu and Pingyun Feng

J. Am. Chem. Soc., 2020, 142, 2222
DOI: 10.1021/jacs.9b12924

Understanding ethane/ethylene adsorption selectivity in ethane-selective microporous materials

Huan Xiang, Xiaolei Fan and Flor R. Siperstein

Separation and Purification Technology, 2020, 241, 116635
DOI: 10.1016/j.seppur.2020.116635

Synthesis of Cu(I) doped mesoporous carbon for selective capture of ethylene from reaction products of oxidative coupling of methane (OCM)

Dipendu Saha, Marisa Comroe and Rajamani Krishna

Microporous and Mesoporous Materials, 2021, 328, 111488
DOI: 10.1016/j.micromeso.2021.111488

High-throughput screening of metal–organic frameworks for hydrogen purification

Shihui Wang, Min Cheng, Lei Luo, Xu Ji, Chong Liu, Kexin Bi and Li Zhou

Chemical Engineering Journal, 2023, 451, 138436
DOI: 10.1016/j.cej.2022.138436

A novel optimization approach for material screening in the adsorption process separation context based on rigorous models: Separation of a mixture of N2 and CO2 in a Pressure Swing Adsorption Unit as a case study

Idelfonso B.R. Nogueira, Rafael O.M. Dias, José M. Loureiro, Alírio E. Rodrigues, Alexandre Ferreira and Ana M. Ribeiro

IFAC-PapersOnLine, 2022, 55, 211
DOI: 10.1016/j.ifacol.2022.09.097

Collaborative pore partition and pore surface fluorination within a metal–organic framework for high-performance C2H2/CO2 separation

Xing-Ping Fu, Yu-Ling Wang, Xue-Feng Zhang, Rajamani Krishna, Chun-Ting He, Qing-Yan Liu and Banglin Chen

Chemical Engineering Journal, 2022, 432, 134433
DOI: 10.1016/j.cej.2021.134433

A Scalable Pillar Layered Metal-Organic Framework for Natural Gas Purification

Nan Lu, Lan Lan, Qiang Gao, Na Li and Xian-He Bu

Chem. Res. Chin. Univ., 2024, 40, 675
DOI: 10.1007/s40242-024-4125-2

Ranking of Metal–Organic Frameworks (MOFs) for Separation of Hexane Isomers by Selective Adsorption

Viral A. Solanki and Bhaskarjyoti Borah

Ind. Eng. Chem. Res., 2019, 58, 20047
DOI: 10.1021/acs.iecr.9b03533

Separation of propylene from propane and nitrogen by Ag(I)-doped nanoporous carbons obtained from hydrothermally treated lignin

Dipendu Saha, Marisa Comroe, Rajamani Krishna, Margaret Rascavage, Joel Larwa, Victor You, Griffin Standhart and Brandon Bingnear

Diamond and Related Materials, 2022, 121, 108750
DOI: 10.1016/j.diamond.2021.108750

Regulation of Adenine-Based Metal–Organic Frameworks with Rich Lewis Basic Sites for the Selective Separation of C2H2 from C2H2/C2H4 and C2H2/CO2 Mixtures

Yao Jiang, Shungang Yang, Mingming Xu, Cheng-Xu Rong, Kang Wang, Qi Wang, Peng Cui and Lin-Bing Sun

Ind. Eng. Chem. Res., 2025, 64, 23601
DOI: 10.1021/acs.iecr.5c01908

High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes

Yanling Chen, Xingyang Bai, Dahuan Liu, Xiaolong Fu and Qingyuan Yang

ACS Appl. Mater. Interfaces, 2022, 14, 24980
DOI: 10.1021/acsami.2c06966

Water/Alcohol Mixture Adsorption in Hydrophobic Materials: Enhanced Water Ingress Caused by Hydrogen Bonding

Rajamani Krishna and Jasper M. van Baten

ACS Omega, 2020, 5, 28393
DOI: 10.1021/acsomega.0c04491

Screening Metal–Organic Frameworks for Separation of Binary Solvent Mixtures by Compact NMR Relaxometry

Marc Wagemann, Natalia Radzik, Artur Krzyżak and Alina Adams

Molecules, 2021, 26, 3481
DOI: 10.3390/molecules26123481

Pore-Space-Partitioned Metal–Organic Frameworks with Acyclic Diene Linkers for C2H2/CO2 Separation

Hanzi Zeng, Wenxuan Zhu, Yuqing Zhang, Jun-Qiang Chen, Xiaoyan Jiang and Xiang Zhao

Inorg. Chem., 2026, 65, 9281
DOI: 10.1021/acs.inorgchem.6c01526

Highlighting non-idealities in C2H4/CO2 mixture adsorption in 5A zeolite

Ilona van Zandvoort, Jan Kees van der Waal, Erik-Jan Ras, Robbert de Graaf and Rajamani Krishna

Separation and Purification Technology, 2019, 227, 115730
DOI: 10.1016/j.seppur.2019.115730

Realization of Ethylene Production from Its Quaternary Mixture through Metal–Organic Framework Materials

Xin Zhang, Hui Cui, Rui-Biao Lin, Rajamani Krishna, Zhi-Yin Zhang, Ting Liu, Bin Liang and Banglin Chen

ACS Appl. Mater. Interfaces, 2021, 13, 22514
DOI: 10.1021/acsami.1c03923

Improving Ethane/Ethylene Separation Performance of Isoreticular Metal–Organic Frameworks via Substituent Engineering

Ping Zhou, Lianglan Yue, Xinxin Wang, Lihui Fan, De-Li Chen and Yabing He

ACS Appl. Mater. Interfaces, 2021, 13, 54059
DOI: 10.1021/acsami.1c17818

Dynamic Adsorption of CO2/N2 on Cation-Exchanged Chabazite SSZ-13: A Breakthrough Analysis

Jamey K. Bower, Dushyant Barpaga, Sebastian Prodinger, Rajamani Krishna, H. Todd Schaef, B. Peter McGrail, Miroslaw A. Derewinski and Radha Kishan Motkuri

ACS Appl. Mater. Interfaces, 2018, 10, 14287
DOI: 10.1021/acsami.8b03848

A Maxwell-Stefan-Glueckauf description of transient mixture uptake in microporous adsorbents

Rajamani Krishna

Separation and Purification Technology, 2018, 191, 392
DOI: 10.1016/j.seppur.2017.09.057

Computational insights into efficient CO2 and H2S capture through zirconium MOFs

Hakan Demir and Seda Keskin

Journal of CO2 Utilization, 2022, 55, 101811
DOI: 10.1016/j.jcou.2021.101811

Specific Propyne Trapping Sites within a Robust MOF for Efficient Propyne/Propadiene Separation with Record Propadiene Productivity

Yunjia Jiang, Lingyao Wang, Jianbo Hu, Rajamani Krishna, Banglin Chen and Yuanbin Zhang

Advanced Materials, 2024, 36
DOI: 10.1002/adma.202311140

Regulating electrostatic microenvironments in robust ultramicroporous metal-organic framework for promoting direct ethylene purification from ternary mixtures

Qiang Zhang, Wenxuan Feng, Yi-Long Li, Lan Lan, Yan-Ting Li, Lu-Lu Wang, Xiaolin Yu and Tong-Liang Hu

Chemical Engineering Journal, 2025, 522, 167314
DOI: 10.1016/j.cej.2025.167314

Metal–Organic Framework Based Hydrogen-Bonding Nanotrap for Efficient Acetylene Storage and Separation

Yingxiang Ye, Shikai Xian, Hui Cui, Kui Tan, Lingshan Gong, Bin Liang, Tony Pham, Haardik Pandey, Rajamani Krishna, Pui Ching Lan, Katherine A. Forrest, Brian Space, Timo Thonhauser, Jing Li and Shengqian Ma

J. Am. Chem. Soc., 2022, 144, 1681
DOI: 10.1021/jacs.1c10620

Pore engineering in double-wall MOFs through immobilizing functional bonding sites for boosting efficient ethane/ethylene separation

Hong-Chan Jiang, Shi-Ming Li, Qing-Ling Ni, Liu-Cheng Gui and Xiu-Jian Wang

Separation and Purification Technology, 2025, 363, 132033
DOI: 10.1016/j.seppur.2025.132033

Compartmentalized Porosity in a Hydrogen‐Bonded Organic Framework Enables High‐Capacity C3H6/C2H4 Separation

Yan‐Long Zhao, Xin Zhang, Xiang‐Yu Li, Xuefeng Bai, Lu Liu and Jian‐Rong Li

Advanced Materials, 2026
DOI: 10.1002/adma.73579

A Chemically Robust 3D Interpenetrated MOF Toward One‐Step Methane Purification Along with Six Other Multipurpose Gas Separations

Rupam Sahoo, Bikram Pramanik, Rajamani Krishna and Madhab C. Das

Small, 2026, 22
DOI: 10.1002/smll.72629

One ethane-selective metal–organic framework with customized pore size and specific binding sites for efficient purification of ethylene

Pengtao Guo, Yunpan Ying, Miao Chang and Dahuan Liu

Separation and Purification Technology, 2023, 323, 124465
DOI: 10.1016/j.seppur.2023.124465

Efficient Separation of Methanol‐to‐Olefins Products Using a Robust Polycatenated Hydrogen‐Bonded Organic Framework

Shengjie Lin, Peiren Ke, Limin Wang, Ye Liang, Jianbo Hu, Lin Zhang, Zhenyi Zhang, Yabing He and Banglin Chen

Angew Chem Int Ed, 2025, 64
DOI: 10.1002/anie.202511773

Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

Hao Wang, Xinglong Dong, Junzhong Lin, Simon J. Teat, Stephanie Jensen, Jeremy Cure, Eugeny V. Alexandrov, Qibin Xia, Kui Tan, Qining Wang, David H. Olson, Davide M. Proserpio, Yves J. Chabal, Timo Thonhauser, Junliang Sun, Yu Han and Jing Li

Nat Commun, 2018, 9
DOI: 10.1038/s41467-018-04152-5

Rational design of amino-functionalized pillar-layered Co6O6 cluster MOF for gas purification in the MTO process

Xing-Zhe Guo, Xiao-Xia Zhang, Wei Liu, Nan Ma, Weiwei Xu, Yuhan Xu, Zihao Xing, Rajamani Krishna and Jinfa Chang

Separation and Purification Technology, 2025, 361, 131644
DOI: 10.1016/j.seppur.2025.131644

Ultramicroporous Metal–Organic Framework with Inert Pore Surfaces for Inversed Separation of Ethylene from C2 Hydrocarbons Mixtures

Hai-Yu Duan, Xiu-Yuan Li, Rajamani Krishna and Chaozheng He

ACS Appl. Mater. Interfaces, 2023, 15, 23538
DOI: 10.1021/acsami.3c04225

Screening and Experimental Validation for Selection of Open Metal Sites Metal-Organic Framework (M-CPO-27, M = Co, Mg, Ni and Zn) to Capture CO2

Nor Ernie Fatriyah Kari, Marhaina Ismail, Aqeel Ahmad, Khaliesah Kamal, Thiam Leng Chew and Mohamad Azmi Bustam

Separations, 2023, 10, 434
DOI: 10.3390/separations10080434

Tuning pore surface aliphaticity in pillar-layered metal-organic frameworks for efficient alkane separation

Fei Yuan, Jia-Wen Wang, Li-Qiu Yang, Zi-Yuan Liu, Ying Wang, Wen-Yu Yuan and Quan-Guo Zhai

Separation and Purification Technology, 2026, 399, 138298
DOI: 10.1016/j.seppur.2026.138298

Boosting Ethane/Ethylene Separation by MOFs through the Amino‐Functionalization of Pores

Gang‐Ding Wang, Rajamani Krishna, Yong‐Zhi Li, Wen‐Juan Shi, Lei Hou, Yao‐Yu Wang and Zhonghua Zhu

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202213015

A review of metal-organic frameworks (MOFs) as energy-efficient desiccants for adsorption driven heat-transformation applications

Avishek Karmakar, Vivekh Prabakaran, Dan Zhao and Kian Jon Chua

Applied Energy, 2020, 269, 115070
DOI: 10.1016/j.apenergy.2020.115070

Screening Hoffman-type metal organic frameworks for efficient C2H2/CO2 separation

Wushuang Lou, Jiahao Li, Wanqi Sun, Yongqi Hu, Lingyao Wang, Rodrigo F. Neumann, Mathias Steiner, Zonglin Gu, Binquan Luan and Yuanbin Zhang

Chemical Engineering Journal, 2023, 452, 139296
DOI: 10.1016/j.cej.2022.139296

Shell‐like Xenon Nano‐Traps within Angular Anion‐Pillared Layered Porous Materials for Boosting Xe/Kr Separation

Fang Zheng, Lidong Guo, Rundao Chen, Lihang Chen, Zhiguo Zhang, Qiwei Yang, Yiwen Yang, Baogen Su, Qilong Ren and Zongbi Bao

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202116686

Hydroxyl-functionalized linker endows an ultra-microporous aluminum based metal–organic framework with electronegative site for enhancing ethane/ethylene separation

Jia Liu, Jilong Peng, Guanyu Chen, Fang Lai, Lihui Dong, Hongbing Ji and Kungang Chai

Separation and Purification Technology, 2024, 351, 128116
DOI: 10.1016/j.seppur.2024.128116

Pore Space Partition within a Metal–Organic Framework for Highly Efficient C2H2/CO2 Separation

Yingxiang Ye, Zhenlin Ma, Rui-Biao Lin, Rajamani Krishna, Wei Zhou, Quanjie Lin, Zhangjing Zhang, Shengchang Xiang and Banglin Chen

J. Am. Chem. Soc., 2019, 141, 4130
DOI: 10.1021/jacs.9b00232

CO2 adsorption and separation from flue gas using a halogenated covalent triazine-based framework

Yu-Ting Han, Ying Zhang, Dong-Liang Zhong, Ke-Xin Yao, Jian-Jian Wang and Jin Yan

Journal of Environmental Chemical Engineering, 2026, 14, 121605
DOI: 10.1016/j.jece.2026.121605

Microsize and environment regulation of Mn-based MOF for inverse ethane/ethylene separation

Xiuwu Liu, Dexin Kong, Guoyun Tong, Puheng Duan, Jing Fang, Xingjiang Wu and Hao Li

Separation and Purification Technology, 2026, 382, 136172
DOI: 10.1016/j.seppur.2025.136172

A novel nested loop optimization problem based on deep neural networks and feasible operation regions definition for simultaneous material screening and process optimization

Idelfonso B.R. Nogueira, Rafael O.M. Dias, Carine M. Rebello, Erbet A. Costa, Vinicius V. Santana, Alírio E. Rodrigues, Alexandre Ferreira and Ana M. Ribeiro

Chemical Engineering Research and Design, 2022, 180, 243
DOI: 10.1016/j.cherd.2022.02.013

Immobilization of the Polar Group into an Ultramicroporous Metal–Organic Framework Enabling Benchmark Inverse Selective CO2/C2H2 Separation with Record C2H2 Production

Shan-Qing Yang, Rajamani Krishna, Hongwei Chen, Libo Li, Lei Zhou, Yi-Feng An, Fei-Yang Zhang, Qiang Zhang, Ying-Hui Zhang, Wei Li, Tong-Liang Hu and Xian-He Bu

J. Am. Chem. Soc., 2023, 145, 13901
DOI: 10.1021/jacs.3c03265

A Pillared-Layer Coordination Network for One-Step Ethylene Production from Ternary CO2/C2H2/C2H4 Gas Mixture

Rong Yang, Tao Zhang, Jinbo Wang, Xue Zhang, Jian-Wei Cao, Yu Wang and Kai-Jie Chen

Chem Bio Eng., 2025, 2, 35
DOI: 10.1021/cbe.4c00113

Methodology for predicting material performance by context-based modeling: A case study on solid amine CO2 adsorbents

Shuangjun Li, Zhixin Huang, Yuanming Li, Shuai Deng and Xiangkun Elvis Cao

Energy and AI, 2025, 20, 100477
DOI: 10.1016/j.egyai.2025.100477

An ultramicropore Co-MOF constructed from mixed N/O-bifunctional organic ligand for highly efficient C2H6/C2H4 separation

Di-Ming Chen, Yi-Han Rong, Xue-Jing Zhang and Shao-Ming Fang

Journal of Molecular Structure, 2026, 1372, 146585
DOI: 10.1016/j.molstruc.2026.146585

The modulation of ethane‐selective adsorption performance in series of bimetal PCN‐250 metal–organic frameworks: Impact of metal composition

Houxiao Wu, Yongwei Chen, Yinuo Yuan, Daofei Lv, Shi Tu, Zewei Liu, Zhong Li and Qibin Xia

AIChE Journal, 2022, 68
DOI: 10.1002/aic.17385

A novel C2H2-selective microporous Cd-MOF for C2H2/C2H4 and C2H2/CO2 separation

Yong-Zhi Li, Rajamani Krishna, Fan Xu, Wan-Fang Zhang, Yanwei Sui, Lei Hou, Yao-Yu Wang and Zhonghua Zhu

Separation and Purification Technology, 2023, 306, 122678
DOI: 10.1016/j.seppur.2022.122678

Exploiting Adsorption/Diffusion Synergy in MFI‐Catalyzed Hexane Isomerization Reactor

Rajamani Krishna

Chemie Ingenieur Technik, 2023, 95, 1794
DOI: 10.1002/cite.202300005

Highlighting the Influence of Thermodynamic Coupling on Kinetic Separations with Microporous Crystalline Materials

Rajamani Krishna

ACS Omega, 2019, 4, 3409
DOI: 10.1021/acsomega.8b03480

Study of competitive adsorption of the N2O-CO2-CH4-N2 quaternary mixture on CuBTC

F.A. Kloutse, W. Gauthier, A. Hourri, S. Natarajan, P. Benard and R. Chahine

Separation and Purification Technology, 2020, 235, 116211
DOI: 10.1016/j.seppur.2019.116211

Rational Design of Microporous MOFs with Anionic Boron Cluster Functionality and Cooperative Dihydrogen Binding Sites for Highly Selective Capture of Acetylene

Yuanbin Zhang, Jianbo Hu, Rajamani Krishna, Lingyao Wang, Lifeng Yang, Xili Cui, Simon Duttwyler and Huabin Xing

Angewandte Chemie, 2020, 132, 17817
DOI: 10.1002/ange.202007681

Maxwell-Stefan modelling of mixture desorption kinetics in microporous crystalline materials

Rajamani Krishna

Separation and Purification Technology, 2019, 229, 115790
DOI: 10.1016/j.seppur.2019.115790

Potential of metal–organic frameworks for adsorptive separation of industrially and environmentally relevant liquid mixtures

Soumya Mukherjee, Aamod V. Desai and Sujit K. Ghosh

Coordination Chemistry Reviews, 2018, 367, 82
DOI: 10.1016/j.ccr.2018.04.001

Molecular simulations of COFs, IRMOFs and ZIFs for adsorption-based separation of carbon tetrachloride from air

Ezgi Gulcay and Ilknur Erucar

Journal of Molecular Graphics and Modelling, 2019, 86, 84
DOI: 10.1016/j.jmgm.2018.10.006

A Robust Ethane-Trapping Metal–Organic Framework with a High Capacity for Ethylene Purification

Omid T. Qazvini, Ravichandar Babarao, Zhao-Lin Shi, Yue-Biao Zhang and Shane G. Telfer

J. Am. Chem. Soc., 2019, 141, 5014
DOI: 10.1021/jacs.9b00913

Supramolecular linker-directed assembly of a ‘trap-and-diffusion’ MOF for one-step purification of polymer-grade C2H4 from C2 hydrocarbons

Jia-Peng Han, Han Fang, Hongliang Huang, Zheng-Yu Su, Haichao Wang, Bo Zhang, Michael J Zaworotko, Shi-Qiang Wang, Mei-Hui Yu, Ze Chang and Xian-He Bu

National Science Review, 2026, 13
DOI: 10.1093/nsr/nwaf548

Graphene-inspired porous polymer network for ethane/ethylene separation and methane purification

Kelechi Festus, Fuan Guo, Saif Ullah, Sayan Maiti, Ankit Mondal, Vladimir Bakhmutov, Urme Podder, Aishi Sikdar, Roknuzzaman Roknuzzaman, Hengyu Lin, Lei Fang, Shengqian Ma, Timo Thonhauser, Hao Wang, Qingsheng Wang and Hong-Cai Zhou

Nat Commun, 2026, 17
DOI: 10.1038/s41467-026-70471-7

Boosting Ethane/Ethylene Separation by MOFs through the Amino‐Functionalization of Pores

Gang‐Ding Wang, Rajamani Krishna, Yong‐Zhi Li, Wen‐Juan Shi, Lei Hou, Yao‐Yu Wang and Zhonghua Zhu

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202213015

Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening

Cigdem Altintas, Gokay Avci, Hilal Daglar, Ayda Nemati Vesali Azar, Sadiye Velioglu, Ilknur Erucar and Seda Keskin

ACS Appl. Mater. Interfaces, 2018, 10, 17257
DOI: 10.1021/acsami.8b04600

Equilibrium and dynamic adsorption characteristics of zeolite 5A, LiX, 13X and MOF UTSA-16 adsorbents for hydrogen purification

Chenglong Li, Hao Luo, Yupeng Yuan, Liang Tong, Ben Chen, Tianqi Yang, Chengqing Yuan, Richard Chahine and Jinsheng Xiao

International Journal of Hydrogen Energy, 2025, 140, 889
DOI: 10.1016/j.ijhydene.2025.04.022

Prediction of MOF Performance in Vacuum Swing Adsorption Systems for Postcombustion CO2 Capture Based on Integrated Molecular Simulations, Process Optimizations, and Machine Learning Models

Thomas D. Burns, Kasturi Nagesh Pai, Sai Gokul Subraveti, Sean P. Collins, Mykhaylo Krykunov, Arvind Rajendran and Tom K. Woo

Environ. Sci. Technol., 2020, 54, 4536
DOI: 10.1021/acs.est.9b07407

Engineering Trifluoromethyl Groups in Porous Coordination Polymers to Enhance Stability and Regulate Pore Window for Hexane Isomers Separation

Hengcong Huang, Niko Prasetyo, Takashi Kajiwara, Yifan Gu, Tao Jia, Ken‐ichi Otake, Susumu Kitagawa and Fengting Li

Chemistry An Asian Journal, 2025, 20
DOI: 10.1002/asia.202400899

Scalable Synthesis of Robust MOF for Challenging Ethylene Purification and Propylene Recovery with Record Productivity

Gang‐Ding Wang, Yong‐Zhi Li, Rajamani Krishna, Wen‐Yan Zhang, Lei Hou, Yao‐Yu Wang and Zhonghua Zhu

Angewandte Chemie, 2024, 136
DOI: 10.1002/ange.202319978

Pore-structure control in ultramicroporous porous coordination polymers for efficient selective capture of acetylene

Tao Jia, Yifan Gu, Hengcong Huang, Luyao Wang and Fengting Li

Separation and Purification Technology, 2023, 318, 123976
DOI: 10.1016/j.seppur.2023.123976

A Chemically Robust Microporous Zn‐MOF for C2H2 Separation from CO2 and Industrially Relevant Four Component Gas Mixtures

Bikram Pramanik, Rupam Sahoo, Rajamani Krishna and Madhab C. Das

Small, 2025, 21
DOI: 10.1002/smll.202411456

Regulating C2H2/CO2 adsorption selectivity by electronic-state manipulation of iron in metal-organic frameworks

Cheng-Xia Chen, Tony Pham, Kui Tan, Rajamani Krishna, Pui Ching Lan, Longfei Wang, Songbo Chen, Abdullah M. Al-Enizi, Ayman Nafady, Katherine A. Forrest, Haiping Wang, Sicheng Wang, Chuan Shan, Lei Zhang, Cheng-Yong Su and Shengqian Ma

Cell Reports Physical Science, 2022, 3, 100977
DOI: 10.1016/j.xcrp.2022.100977

Active Sites Decorated Nonpolar Pore‐Based MOF for One‐step Acquisition of C2H4 and Recovery of C3H6

Gang‐Ding Wang, Yong‐Zhi Li, Wen‐Juan Shi, Lei Hou, Yao‐Yu Wang and Zhonghua Zhu

Angewandte Chemie, 2023, 135
DOI: 10.1002/ange.202311654

Highlighting the origins and consequences of thermodynamic non-idealities in mixture separations using zeolites and metal-organic frameworks

Rajamani Krishna, Jasper M. van Baten and Richard Baur

Microporous and Mesoporous Materials, 2018, 267, 274
DOI: 10.1016/j.micromeso.2018.03.013

Constructing redox-active microporous hydrogen-bonded organic framework by imide-functionalization: Photochromism, electrochromism, and selective adsorption of C2H2 over CO2

Li Wang, Lixiao Yang, Lele Gong, Rajamani Krishna, Zhi Gao, Yuan Tao, Wenhui Yin, Zhenzhen Xu and Feng Luo

Chemical Engineering Journal, 2020, 383, 123117
DOI: 10.1016/j.cej.2019.123117

Ligand Bent-Angle Engineering for Tuning Topological Structures and Acetylene Purification Performances of Copper-Diisophthalate Frameworks

Lihui Fan, Lianglan Yue, Wanqi Sun, Xinxin Wang, Ping Zhou, Yuanbin Zhang and Yabing He

ACS Appl. Mater. Interfaces, 2021, 13, 40788
DOI: 10.1021/acsami.1c13524

A chlorine-rich Zn-based metal-organic framework for efficient separation of C3H6/C2H4 and C2H6/C2H4

Jilong Peng, Xunqian Zhang, Rongqing Qin, Fang Lai, Na Shi, Qinggang Ren and Kungang Chai

Microporous and Mesoporous Materials, 2025, 390, 113600
DOI: 10.1016/j.micromeso.2025.113600

Tuning the Trade‐Off between Ethane/Ethylene Selectivity and Adsorption Capacity within Isoreticular Microporous Metal−Organic Frameworks by Linker Fine‐Fluorination

Mei‐Hui Yu, Han Fang, Hong‐Liang Huang, Meng Zhao, Zheng‐Yu Su, Hong‐Xiang Nie, Ze Chang and Tong‐Liang Hu

Small, 2023, 19
DOI: 10.1002/smll.202300821

Process Optimization-Based Screening of Zeolites for Post-Combustion CO2 Capture by Vacuum Swing Adsorption

Vishal Subramanian Balashankar and Arvind Rajendran

ACS Sustainable Chem. Eng., 2019, 7, 17747
DOI: 10.1021/acssuschemeng.9b04124

Design of a highly-stable cobalt (II) porous framework based on aromatic stacking strategy for efficient SF6 capture and SF6/N2 mixture separation

Yong-Peng Li, Xiao-Jie Zhang, Jing-Jing Ni, Wen-Juan Ji, Shuo Li, Yu-Lin Li, Wen Wen, Jian Wang, Zhu-Yin Sui and Xiu-Feng Xu

Separation and Purification Technology, 2024, 343, 126995
DOI: 10.1016/j.seppur.2024.126995

Dual Strategic Approach to Prepare Defluorinated Triazole-Embedded Covalent Triazine Frameworks with High Gas Uptake Performance

Soumya Mukherjee, Monojit Das, Anupam Manna, Rajamani Krishna and Sanjib Das

Chem. Mater., 2019, 31, 3929
DOI: 10.1021/acs.chemmater.8b05365

Methodologies for screening and selection of crystalline microporous materials in mixture separations

Rajamani Krishna

Separation and Purification Technology, 2018, 194, 281
DOI: 10.1016/j.seppur.2017.11.056

Harnessing Multiple Adsorption Sites in a Phosphonate Metal–Organic Framework for Efficient C2H2/CO2 Separation

Xiangsen Yuan, Wenpeng Xie, Qiuju Fu, Huimin Jiang, Shilong Wen, Xiaokun Yang, Liting Yan, Ling‐Zhi Yang and Xuebo Zhao

ChemPlusChem, 2025, 90
DOI: 10.1002/cplu.202500495

Investigating the non-idealities in adsorption of CO2-bearing mixtures in cation-exchanged zeolites

Rajamani Krishna and Jasper M. van Baten

Separation and Purification Technology, 2018, 206, 208
DOI: 10.1016/j.seppur.2018.06.009

Understanding How Ligand Functionalization Influences CO2 and N2 Adsorption in a Sodalite Metal–Organic Framework

Mehrdad Asgari, Rocio Semino, Pascal A. Schouwink, Ilia Kochetygov, Jacob Tarver, Olga Trukhina, Rajamani Krishna, Craig M. Brown, Michele Ceriotti and Wendy L. Queen

Chem. Mater., 2020, 32, 1526
DOI: 10.1021/acs.chemmater.9b04631

Elucidation of Selectivity Reversals for Binary Mixture Adsorption in Microporous Adsorbents

Rajamani Krishna and Jasper M. van Baten

ACS Omega, 2020, 5, 9031
DOI: 10.1021/acsomega.0c01051

Enhancing Gas Sorption and Separation Performance via Bisbenzimidazole Functionalization of Highly Porous Covalent Triazine Frameworks

Jianfeng Du, Yuchuan Liu, Rajamani Krishna, Yue Yu, Yuanzheng Cui, Shun Wang, Yunling Liu, Xiaowei Song and Zhiqiang Liang

ACS Appl. Mater. Interfaces, 2018, 10, 26678
DOI: 10.1021/acsami.8b08625

A stable ultramicroporous Cd(II)-MOF with accessible oxygen sites for efficient separation of light hydrocarbons with high methane production

Xing-Zhe Guo, Bingwen Li, Guang-Zu Xiong, Bing Lin, Liu-Cheng Gui, Xiao-Xia Zhang, Zhihui Qiu, Rajamani Krishna, Xinfang Wang, Xin Yan and Shui-Sheng Chen

Separation and Purification Technology, 2024, 334, 125987
DOI: 10.1016/j.seppur.2023.125987

Leveraging synergistic polar and nonpolar binding sites in a fluorinated metal–organic framework for efficient ethane/ethylene separation

Qiang Zhang, Ya-Ru Shao, Zhuo-Fei Li, Yi-Long Li, Zi-Yi Tang, Shan-Qing Yang and Tong-Liang Hu

Separation and Purification Technology, 2025, 354, 129311
DOI: 10.1016/j.seppur.2024.129311

Shell‐like Xenon Nano‐Traps within Angular Anion‐Pillared Layered Porous Materials for Boosting Xe/Kr Separation

Fang Zheng, Lidong Guo, Rundao Chen, Lihang Chen, Zhiguo Zhang, Qiwei Yang, Yiwen Yang, Baogen Su, Qilong Ren and Zongbi Bao

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202116686

Simultaneous interlayer and intralayer space control in two-dimensional metal−organic frameworks for acetylene/ethylene separation

Jin Shen, Xin He, Tian Ke, Rajamani Krishna, Jasper M. van Baten, Rundao Chen, Zongbi Bao, Huabin Xing, Mircea Dincǎ, Zhiguo Zhang, Qiwei Yang and Qilong Ren

Nat Commun, 2020, 11
DOI: 10.1038/s41467-020-20101-7

Rational Engineering of Pillar‐Layered Co‐MOFs Through the Hard‐Soft Acid–Base Principle: Elucidating Highly Robust Flue Gas Desulfurization Under Dynamic Dry and Humidity

Xing‐Zhe Guo, Xiao‐Xia Zhang, Wenjuan Zhang, Jie Zhang, Gai‐Li Zhu, Rajamani Krishna, Guang‐Zu Xiong, Bing Lin, Lin Li, Ding‐Ming Xue and Bingwen Li

ChemistryEurope, 2026, 4
DOI: 10.1002/ceur.70264

Synergistic High‐Connectivity and Nonplanar Conformation Generates a Stable Hydrogen‐Bonded Organic Framework for Benchmark Methanol‐to‐Olefin Product Separation

Shengjie Lin, Yaning Qiao, Yuxuan Du, Yibo Wang, Yi Xie, Yabing He, Lin Li and Banglin Chen

Angewandte Chemie, 2026
DOI: 10.1002/ange.4395812

Efficient Ethane and Propane Separation from Natural Gas Using Heterometallic Metal–Organic Frameworks with Interpenetrated Structures

Yong Wang, Xuanyu Zhao, Shaoxiong Han and Yongzhen Wang

ACS Appl. Mater. Interfaces, 2024, 16, 10468
DOI: 10.1021/acsami.3c15612

Energy efficient ethylene purification in a commercially viable ethane-selective MOF

Chunyu Lu, Yang Chen, Yong Wang, Yadan Du, Jiangfeng Yang, Libo Li and Jinping Li

Separation and Purification Technology, 2022, 282, 120126
DOI: 10.1016/j.seppur.2021.120126

Scalable Synthesis of Robust MOF for Challenging Ethylene Purification and Propylene Recovery with Record Productivity

Gang‐Ding Wang, Yong‐Zhi Li, Rajamani Krishna, Wen‐Yan Zhang, Lei Hou, Yao‐Yu Wang and Zhonghua Zhu

Angew Chem Int Ed, 2024, 63
DOI: 10.1002/anie.202319978

Integrating multifactor for methane purification and storage in topological isomorphic tetranuclear cluster-based iron-organic frameworks

Jiao Lei, Hai-Peng Li, Zhang-Lei Zhong, Yan-Fei Li, Ying-Ying Xue, Lixin Zhang and Quan-Guo Zhai

Separation and Purification Technology, 2025, 361, 131422
DOI: 10.1016/j.seppur.2025.131422

An Overview of Metal–Organic Frameworks for Green Chemical Engineering

Xiang-Jing Kong and Jian-Rong Li

Engineering, 2021, 7, 1115
DOI: 10.1016/j.eng.2021.07.001

Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO2 Capture

Hakan Demir and Seda Keskin

J. Phys. Chem. C, 2022, 126, 9875
DOI: 10.1021/acs.jpcc.2c00227

Deep learning combined with IAST to screen thermodynamically feasible MOFs for adsorption-based separation of multiple binary mixtures

Ryther Anderson and Diego A. Gómez-Gualdrón

The Journal of Chemical Physics, 2021, 154
DOI: 10.1063/5.0048736

Highly Productive C3H4/C3H6 Trace Separation by a Packing Polymorph of a Layered Hybrid Ultramicroporous Material

Mei-Yan Gao, Andrey A. Bezrukov, Bai-Qiao Song, Meng He, Sousa Javan Nikkhah, Shi-Qiang Wang, Naveen Kumar, Shaza Darwish, Debobroto Sensharma, Chenghua Deng, Jiangnan Li, Lunjie Liu, Rajamani Krishna, Matthias Vandichel, Sihai Yang and Michael J. Zaworotko

J. Am. Chem. Soc., 2023, 145, 11837
DOI: 10.1021/jacs.3c03505

Synergistic High‐Connectivity and Nonplanar Conformation Generates a Stable Hydrogen‐Bonded Organic Framework for Benchmark Methanol‐to‐Olefin Product Separation

Shengjie Lin, Yaning Qiao, Yuxuan Du, Yibo Wang, Yi Xie, Yabing He, Lin Li and Banglin Chen

Angew Chem Int Ed, 2026
DOI: 10.1002/anie.4395812

Engineering Pore Environments of Sulfate‐Pillared Metal‐Organic Framework for Efficient C2H2/CO2 Separation with Record Selectivity

Xing Liu, Peixin Zhang, Hanting Xiong, Yan Zhang, Ke Wu, Junhui Liu, Rajamani Krishna, Jingwen Chen, Shixia Chen, Zheling Zeng, Shuguang Deng and Jun Wang

Advanced Materials, 2023, 35
DOI: 10.1002/adma.202210415

Development of a General Evaluation Metric for Rapid Screening of Adsorbent Materials for Postcombustion CO2 Capture

Karson T. Leperi, Yongchul G. Chung, Fengqi You and Randall Q. Snurr

ACS Sustainable Chem. Eng., 2019, 7, 11529
DOI: 10.1021/acssuschemeng.9b01418

Investigation and Computer Modeling of Separation of Gas Mixtures

F. V. Yusubov and A. S. Bayramova

Theor Found Chem Eng, 2022, 56, 613
DOI: 10.1134/S0040579522040200

A separation MOF with O/N active sites in nonpolar pore for One-step C2H4 purification from C2H6 or C3H6 mixtures

Yong-Zhi Li, Gang-Ding Wang, Rajamani Krishna, Qing Yin, Danyang Zhao, Jiqiu Qi, Yanwei Sui and Lei Hou

Chemical Engineering Journal, 2023, 466, 143056
DOI: 10.1016/j.cej.2023.143056

Cyclotetrabenzoin Acetate: A Macrocyclic Porous Molecular Crystal for CO2 Separations by Pressure Swing Adsorption**

Yao‐Ting Wang, Corie McHale, Xiqu Wang, Chung‐Kai Chang, Yu‐Chun Chuang, Watchareeya Kaveevivitchai, Ognjen Š. Miljanić and Teng‐Hao Chen

Angewandte Chemie, 2021, 133, 15058
DOI: 10.1002/ange.202102813

Fine-tuning the pore environment of isoreticular metal-organic frameworks through installing functional sites for boosting C2H6/C2H4 separation

Gang-Ding Wang, Yong-Zhi Li, Rajamani Krishna, Zhi-Zhu Yan, Lei Hou, Yao-Yu Wang and Zhonghua Zhu

Chemical Engineering Journal, 2024, 485, 149587
DOI: 10.1016/j.cej.2024.149587

Separation of ethane-ethylene and propane-propylene by Ag(I) doped and sulfurized microporous carbon

Dipendu Saha, Brandon Toof, Rajamani Krishna, Gerassimos Orkoulas, Pasquale Gismondi, Ryan Thorpe and Marisa L. Comroe

Microporous and Mesoporous Materials, 2020, 299, 110099
DOI: 10.1016/j.micromeso.2020.110099

Computational Selection of High-Performing Covalent Organic Frameworks for Adsorption and Membrane-Based CO2/H2 Separation

Gokhan Onder Aksu, Hilal Daglar, Cigdem Altintas and Seda Keskin

J. Phys. Chem. C, 2020, 124, 22577
DOI: 10.1021/acs.jpcc.0c07062

Optimal pore environments for effective NF3/N2 separation in robust metal–organic frameworks

Suhan Woo, Taehyun Kwon, Minjung Kang and Dong Won Kang

Coordination Chemistry Research, 2026, 3, 100023
DOI: 10.1016/j.cocr.2026.100023

High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation

Lei Liu, Lei Wang, Dahuan Liu, Qingyuan Yang and Chongli Zhong

Green Energy & Environment, 2020, 5, 333
DOI: 10.1016/j.gee.2020.03.002

Using Molecular Dynamics simulations for elucidation of molecular traffic in ordered crystalline microporous materials

Rajamani Krishna and Jasper M. van Baten

Microporous and Mesoporous Materials, 2018, 258, 151
DOI: 10.1016/j.micromeso.2017.09.014

Optimization of Pore-Space-Partitioned Metal–Organic Frameworks Using the Bioisosteric Concept

Huajun Yang, Yichong Chen, Candy Dang, Anh N. Hong, Pingyun Feng and Xianhui Bu

J. Am. Chem. Soc., 2022, 144, 20221
DOI: 10.1021/jacs.2c09349

Recent Advancements in Metal‐Organic Framework‐Based Membranes for Hydrogen Separation: A Review

Umair Baig, Abdul Waheed and Shehzada Muhammad Sajid Jillani

Chemistry An Asian Journal, 2024, 19
DOI: 10.1002/asia.202300619

Interpenetration Symmetry Control Within Ultramicroporous Robust Boron Cluster Hybrid MOFs for Benchmark Purification of Acetylene from Carbon Dioxide

Lingyao Wang, Wanqi Sun, Yuanbin Zhang, Nuo Xu, Rajamani Krishna, Jianbo Hu, Yunjia Jiang, Yabing He and Huabin Xing

Angew Chem Int Ed, 2021, 60, 22865
DOI: 10.1002/anie.202107963

Elucidating the failure of the Ideal Adsorbed Solution Theory for CO2/H2O mixture adsorption in CALF-20

Rajamani Krishna and Jasper M. van Baten

Separation and Purification Technology, 2025, 352, 128269
DOI: 10.1016/j.seppur.2024.128269

Cyclotetrabenzoin Acetate: A Macrocyclic Porous Molecular Crystal for CO2 Separations by Pressure Swing Adsorption**

Yao‐Ting Wang, Corie McHale, Xiqu Wang, Chung‐Kai Chang, Yu‐Chun Chuang, Watchareeya Kaveevivitchai, Ognjen Š. Miljanić and Teng‐Hao Chen

Angew Chem Int Ed, 2021, 60, 14931
DOI: 10.1002/anie.202102813

A Highly Chemically Robust 2D Zn‐MOF as Promising Adsorbent for One‐Step Methane Purification From Multicomponent Gas Mixtures

Supriya Mondal, Rupam Sahoo, Rajamani Krishna and Madhab C. Das

Chemistry A European J, 2025, 31
DOI: 10.1002/chem.202500851

Rational Construction of Ultrahigh Thermal Stable MOF for Efficient Separation of MTO Products and Natural Gas

Gang-Ding Wang, Rajamani Krishna, Yong-Zhi Li, Yao-Yu Ma, Lei Hou, Yao-Yu Wang and Zhonghua Zhu

ACS Materials Lett., 2023, 5, 1091
DOI: 10.1021/acsmaterialslett.3c00096

Comprehensive Pore Tuning in an Ultrastable Fluorinated Anion Cross‐Linked Cage‐Like MOF for Simultaneous Benchmark Propyne Recovery and Propylene Purification

Yunjia Jiang, Jianbo Hu, Lingyao Wang, Wanqi Sun, Nuo Xu, Rajamani Krishna, Simon Duttwyler, Xili Cui, Huabin Xing and Yuanbin Zhang

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202200947

Synergistic and Antisynergistic Intracrystalline Diffusional Influences on Mixture Separations in Fixed-Bed Adsorbers

Rajamani Krishna

Precision Chemistry, 2023, 1, 83
DOI: 10.1021/prechem.2c00003

Optimizing Trace Acetylene Removal from Acetylene/Ethylene Mixture in a Flexible Metal–Organic Framework by Crystal Downsizing

Jianyao Zhu, Tian Ke, Liu Yang, Zongbi Bao, Zhiguo Zhang, Baogen Su, Qilong Ren and Qiwei Yang

ACS Appl. Mater. Interfaces, 2024, 16, 22455
DOI: 10.1021/acsami.4c03517