Korean Chemical Engineering Research

The Korean Institute of Chemical Engineers (한국화학공학회)
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Design Strategies for Adsorbents with Optimal Propylene/propane Adsorptive Separation Performances

최적의 프로필렌/프로판 흡착 분리 성능을 가지는 흡착제의 개발 전략들

  • Kim, Tea-Hoon (Department of Chemical and Biomolecular Engineering, Yonsei University) ;
  • Lee, Seung-Joon (Department of Chemical and Biomolecular Engineering, Yonsei University) ;
  • Kim, Seo-Yul (Department of Chemical and Biomolecular Engineering, Yonsei University) ;
  • Kim, Ah-Reum (Department of Chemical and Biomolecular Engineering, Yonsei University) ;
  • Bae, Youn-Sang (Department of Chemical and Biomolecular Engineering, Yonsei University)
  • 김태훈 (연세대학교 화공생명공학과) ;
  • 이승준 (연세대학교 화공생명공학과) ;
  • 김서율 (연세대학교 화공생명공학과) ;
  • 김아름 (연세대학교 화공생명공학과) ;
  • 배윤상 (연세대학교 화공생명공학과)
  • Received : 2019.02.28
  • Accepted : 2019.04.09
  • Published : 2019.08.01
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Abstract

An efficient propylene/propane separation technology is needed to obtain high-purity propylene, which is a raw material for polypropylene synthesis. Since conventional cryogenic distillation is an energy-intensive process due to the similar physicochemical properties of propylene and propane, adsorptive separation has gained considerable interest. In this study, we have computationally investigated the changes in adsorption separation performances by arbitrarily controlling the adsorption strength of open metal sites in two different types of metal-organic frameworks (MOFs). Through the evaluation of adsorptive separation performances in terms of working capacity, selectivity, and Adsorption Figure of Merit (AFM), we have suggested proper density and strength of adsorption sites as well as appropriate temperature condition to obtain optimal propylene/propane adsorptive separation performances.

산업적으로 중요한 가치를 지니는 폴리프로필렌 합성의 원료인 프로필렌을 고순도로 얻기 위해서는 효율적인 프로필렌/프로판 분리 기술이 필요하다. 기존 증류 공정은 프로필렌과 프로판의 유사한 물리화학적 성질로 인해 매우 높은 에너지가 소모되기때문에, 흡착분리 기술이큰관심을받고있다. 본연구에서는 Grand Canonical Monte Carlo (GCMC) 분자 모사를 활용하여 기공의 형태가 다른 두 종류의 유무기복합다공체(Metal-Organic Frameworks)의 빈금속배위자리(open metal sites) 흡착 강도를 임의로 조절하며 프로필렌/프로판 흡착 분리 성능의 변화를 조사하였다. 흡착 분리 성능은 작업 용량, 선택도, Adsorption Figure of Merit (AFM) 등으로 평가하였고, 이를 통해 흡착제가 최적의 프로필렌/프로판 분리 성능을 가지기 위해 필요한 흡착 사이트의 밀도 및 강도 그리고 온도 조건 등을 제시하였다.

Keywords

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Fig. 1. Experimental and simulated (a) C3H8 and (b) C3H6 adsorption isotherms in Co-MOF-74 at 298 K.

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Fig. 2. Simulated single component C3H8 and C3H6 adsorption isotherms at three different temperatures: (a) C3H8 in Co-MOF-74; (b) C3H6 in Co-MOF-74; (c) C3H8 in HKUST-1; (d) C3H6 in HKUST-1.

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Fig. 3. Simulated single component C3H8 and C3H6 adsorption isotherms for Co-MOF-74 with varied L-J ε parameters: (a) C3H8 at 298 K; (b) C3H6 at 298 K; (c) C3H8 at 323 K; (d) C3H6 at 323 K; (e) C3H8 at 348 K; (b) C3H6 at 348 K.

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Fig. 4. Simulated single component C3H8 and C3H6 adsorption isotherms for HKUST-1 with varied L-J ε parameters: (a) C3H8 at 298 K; (b) C3H6 at 298 K; (c) C3H8 at 323 K; (d) C3H6 at 323 K; (e) C3H8 at 348 K; (b) C3H6 at 348 K.

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Fig. 5. Relationships between multiplied ε parameters and C3H6 working capacity (5 bar-0.3 bar) or C3H6/C3H8 selectivity (5 bar) for (a) Co-MOF-74 and (b) HKUST-1 at three different temperatures.

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Fig. 6. Relationships between multiplied ε parameters and adsorption figure of merit (AFM) for (a) Co-MOF-74 and (b) HKUST-1 at three different temperatures.

Table 1. Surface area, pore volume and crystal density of Co-MOF-74 and HKUST-1 [10]

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Table 2. Working capacities and selectivities of pristine Co-MOF-74 and HKUST-1 materials at three different temperatures

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