Korean Chemical Engineering Research, Vol.61, No.1, 1-7, 2023
수소/이산화탄소 가스분리용 다공성 물질 탐색 및 고속전산스크리닝 연구동향
Discovery of Porous Materials for H2/CO2 Gas Separation and High-Throughput Computational Screening
가스 분리 기술은 혼합 가스로부터 신재생에너지 자원 및 환경 오염 물질과 관련된 수소(H2) 및 이산화탄소(CO2)와 같은 주요 가스를 효과적으로 추출할 수 있기 때문에 매우 유용하다. 에너지 소비를 줄이기 위한 가스 분리 기술로서 분리막 공정과 흡착 공정이 널리 사용되고 있는데, 두 공정 모두 분리막과 흡착제의 역할을 하는 다공성 물질이 필요 하다. 특히 다공성 물질의 한 종류인 금속-유기물 골격체(Metal-organic frameworks, MOFs)는 가스 흡착 및 분리를 목 적으로 발전되었다. 그런데 MOF 구조의 수가 지속적으로 증가하고 있지만 시행착오 실험을 통해 우수한 MOF 기반 의 분리막과 흡착제를 발견하는데 효율적이지 않다. 따라서 수소와 이산화탄소를 분리할 수 있는 고성능 다공성 물질 의 발견을 가속화하기 위해 고속전산스크리닝(High-throughput computational screening) 기술이 등장하였고 현재까지 활용되고 있다. 본 리뷰에서는 다공성 물질에 대한 중요한 연구와 수소와 이산화탄소의 가스 분리에 초점을 맞춘 고속 전산스크리닝 기술을 소개한다.
Gas separation technology becomes more useful because key gases such as H2 and CO2 regarding renewable energy resources and environmental pollutant can be effectively extracted in mixed gases. For reducing energy consumption on gas separation, membrane and adsorption processes are widely used. In both processes, porous materials are needed as membrane and adsorbent. In particular, metal-organic frameworks (MOFs), one class of the porous materials, have been developed for the purpose of gas adsorption and separation. While the number of the MOF structures is increasing due to chemical and structural tunability, good MOF membranes and adsorbents have been rarely reported by trial-and-error experiments. To accelerate the discovery of high-performing porous materials that can separate H2 and CO2, a high-throughput computational screening technique was used as efficient skill. This review introduces crucial studies of porous materials and the high-throughput computational screening works focusing on gas separation of H2 and CO2.
[References]
Chu S, Cu Y, Liu N, Nat. Mater. , 16 , 16, 2016
Khan MA, Al-Shankiti I, Ziania A, Idriss H, Sustain. Energy Fuels , 5 , 1085, 2021
Tollefson J, Nature , 464 , 1262, 2010
Chu S, Science , 325 , 1599, 2009
Tao Y, Xue Q, Liu Z, Shan M, Ling C, Wu T, Li X, ACS Appl. Mater. Interfaces , 6 , 8048, 2014
Jaschik J, Tanczyk M, Warmuzinski K, Jaschik M, Chem. Process Eng. , 30 , 511, 2009
Sircar S, Waldron WE, Rao MB, Anand M, Sep. Purif. Technol. , 17 , 11, 1999
Park JH, Kim JN, Cho SH, Kim JD, Yang RT, Chem. Eng. Sci. , 53 , 3951, 1998
Sholl DS, Lively RP, Nature , 532 , 435, 2016
U.S. Department of Energy (DOE), “Materials for Separation Technologies: Energy and Emission Reduction Opportunities,” (2005).
Sun C, Wen B, Bai B, Chem. Eng. Sci. , 138 , 616, 2015
Yang RT, Gas Separation by Adsorption Progress, Butterworth, Boston(1987).
Feng X, Pan CY, Ivory J, Ghosh D, Chem. Eng. Sci. , 53 , 1689, 1998
Lin JYS, Science , 353 , 6295, 2016
Sanders DF, Smith ZP, Guo R, Robeson LM, McGrath JE, Paul DR, Freeman BD, Polymer , 54 , 4729, 2013
Peters T, Caravella A, Membranes , 9 , 1, 2019
Nomura M, Ono K, Gopalakrishnan S, Sugawara , Nakao SI, J. Membr. Sci. , 251 , 151, 2005
Duval JM, Kemperman AJB, Folkers B, Mulder MHV, Desgrandchamps G, Smolders CA, J. Appl. Polym. Sci. , 54 , 409, 1994
Murray LJ, Dincă M, Long JR, Chem. Soc. Rev. , 38 , 1294, 2009
Dincă M, Dailly A, Liu Y, Brown CM, Neumann DA, Long JR, J. Am. Chem. Soc. , 128 , 16876, 2006
Han SS, Goddard WA III, J. Am. Chem. Soc. , 129 , 8422, 2007
Blomqvist A, Araújo CM, Srepusharawoot P, Ahuja RL, Proc. Natl. Acad. Sci. , 104 , 20173, 2007
Latroche M, Surblé S, Serre C, Mellot-Draznieks C, Llewellyn PL, Lee JH, Chang JS, Sung HJ, Férey G, Angew. Chem.-Int. Edit. , 45 , 8227, 2006
Mavrandonakis A, Klontzas E, Tylianakis E, Froudakis GE, J. Am. Chem. Soc. , 131 , 13410, 2009
Mavrandonakis A, Tylianakis E, Stubos AK, Froudakis GE, J. Phys. Chem. C , 112 , 7290, 2008
Daglar H, Keskin S, Coord. Chem. Rev. , 422 , 213470, 2020
An J, Geib SJ, Rosi NL, J. Am. Chem. Soc. , 132 , 38, 2010
Bae YS, Snurr RQ, Angew. Chem.-Int. Edit. , 50 , 11586, 2011
Wang B, Côté AP, Furukawa H, O’Keeffe M, Yaghi OM, Nature , 453 , 207, 2008
Thallapally PK, Tian J, Kishan MR, Fernandez CA, Dalgarno SJ, McGrail PB, Warren JE, Atwood JL, J. Am. Chem. Soc. , 130 , 16842, 2008
Beck DW, Zeolite Molecular Sieves, John Wiley & Sons, New York(1974).
Li H, Eddaoudi M, Groy TL, Yaghi OM, J. Am. Chem. Soc. , 120 , 8571, 1998
Furukawa H, Cordova KE, Science , 341 , 1230444, 2013
Chen B, Yang Z, Zhu Y, Xia Y, J. Mater. Chem. A , 2 , 16811, 2014
Li JR, Sculley J, Zhou HC, Chem. Rev. , 112 , 869, 2012
Dybtsev DN, Chun H, Yoon SH, Kim D, Kim K, J. Am. Chem. Soc. , 126 , 32, 2004
Yeo BC, Kim D, Kim H, Han SS, J. Phys. Chem. C , 120 , 24224, 2016
Park J, Lively RP, Sholl DS, J. Mater. Chem. A , 5 , 12258, 2017
Chung YG, Gómez-Gualdrón DA, Li P, Leperi KT, Deria P, Zhang H, Vermeulen NA, Stoddart JF, You F, Hupp JT, Sci. Adv. , 2 , 1600909, 2016
Krishna R, van Baten JM, Phys. Chem. Chem. Phys. , 13 , 10593, 2011
Moghadam PZ, Li A, Wiggin SB, Tao A, Maloney AGP, Wood PA, Ward SC, Fairen-Jimenez D, Chem. Mater. , 29 , 2618, 2017
Allen FH, Acta Crystallogr. Sect. B-Struct. Sci. , 58 , 380, 2002
Koyuturk B, Altintas C, Kinik FP, Keskin S, Uzun A, J. Phys. Chem. C , 121 , 10370, 2017
Altintas C, Avci G, Daglar H, Gulcay E, Erucar I, Keskin S, J. Mater. Chem. A , 6 , 5836, 2018
Avci G, Velioglu S, Keskin S, ACS Appl. Mater. Interfaces , 10 , 33693, 2018
Liszka M, Malik T, Manfrida G, Energy , 45 , 142, 2012
Martinez I, Romano MC, Chiesa P, Grasa G, Murillo R, Int. J. Hydrog. Energy , 38 , 15180, 2013
Dzuryk S, Rezaei E, Ind. Eng. Chem. Res. , 59 , 18907, 2020
Lim DW, Ha J, Oruganti Y, Moon HR, Mater. Chem. Front. , 5 , 4022, 2021
Freeman BD, Macromolecules , 32 , 375, 1999
Kang Z, Xue M, Fan L, Huang L, Guo L, Wei G, Chen B, Qiu S, Energy Environ. Sci. , 7 , 4053, 2014
Kang Z, Wang S, Fan L, Zhang M, Kang W, Pang J, Du X, Guo H, Wang R, Sun D, Chem. Commun. , 1 , 1, 2018
Du Z, Liu C, Zhai J, Guo X, Xiong Y, Su W, He G, Catalysts , 11 , 393, 2021
Banu AM, Friedrich D, Brandani S, Dueren T, Ind. Eng. Chem. Res. , 52 , 9946, 2013
Agueda VI, Delgado JA, Uguina MA, Brea P, Spjelkavik AI, Blom R, Grande C, Chem. Eng. Sci. , 124 , 159, 2015
Brea P, Delgado J, Águeda VI, Gutiérrez P, Uguina MA, Microporous Mesoporous Mater. , 286 , 187, 2019
Tong M, Yang Q, Zhong C, Microporous Mesoporous Mater. , 210 , 142, 2015
Willems TF, Rycroft CH, Kazi M, Meza JC, Haranczyk M, Microporous Mesoporous Mater. , 149 , 134, 2012
Bakhshandeha A, Levin Y, J. Chem. Phys. , 156 , 134110, 2022
Li S, Chung YG, Snurr RQ, Langmuir , 32 , 10368, 2016
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