• Title/Summary/Keyword: Maxwell-Stefan model

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Pervaporation Characteristics of Water/Ethanol and Water/Isopropyl Alcohol Mixtures through Zeolite 4A Membranes: Activity Coefficient Model and Maxwell Stefan Model (제올라이트 4A 분리막을 이용한 물/에탄올, 물/이소프로필알코올 혼합물의 투과증발 특성 연구 : 활동도계수모형 및 Generalized Maxwell Stefan 모형)

  • Oh, Woong Jin;Jung, Jae-Chil;Lee, Jung Hyun;Yeo, Jeong-gu;Lee, Da Hun;Park, Young Cheol;Kim, Hyunuk;Lee, Dong-Ho;Cho, Churl-Hee;Moon, Jong-Ho
    • Clean Technology
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    • v.24 no.3
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    • pp.239-248
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    • 2018
  • In this study, pervaporation experiments of water, ethanol and IPA (Isopropyl alcohol) single components and water/ethanol, water/IPA mixtures were carried out using zeolite 4A membranes developed by Fine Tech Co. Ltd. Those membranes were fabricated by hydrothermal synthesis (growth in hydrothermal condition) after uniformly dispersing the zeolite seeds on the tubular alumina supports. They have a pore size of about $4{\AA}$ by ion exchange of $Na^+$ to the LTA structure with Si/Al ratio of 1.0, and shows strong hydrophilic property. Physical characteristics of prepared membranes were evaluated by using SEM (surface morphology), porosimetry (macro- or meso- pore analysis), BET (micropore analysis), and load tester (compressive strength). Pervaporation experiments with various temperature and concentration conditions confirmed that the zeolite 4A membrane can selectively separate water from ethanol and IPA. Water/ethanol separation factor was over 3,000 and water/IPA separation factor was over 1,500 (50 : 50 wt%, initial feed concentration). Pervaporation behaviors of single components and binary mixtures were predicted using ACM (activity coefficient model), GMS (generalized Maxwell Stefan) model and DGM (Dusty Gas Model). The adsorption and diffusion coefficients of the zeolite top layer were obtained by parameter estimation using GA (Genetic Algorithm, stochastic optimization method). All the calculations were carried out using MATLAB 2018a version.

Study for Transport and Separation Mechanisms of $CO_2/N_2$ Mixture on Organic Templating Silica/Alumina Composite Membrane by Using Generalized Maxwell Stefan model (Generalized Maxwell Stefan 모형을 이용한 유기 템플레이팅 실리카/알루미나 복합막의 $CO_2/N_2$ 혼합물의 투과/분리 기구 해석)

  • Lee Chang-Ha;Moon Jong-Ho;Kim Min-Bae;Kang Byung-Sub;Hyun Sang-Hoon
    • Journal of the Korean Institute of Gas
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    • v.8 no.3 s.24
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    • pp.43-51
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    • 2004
  • In this study, gas permeation and separation characteristics of $CO_2$ and $N_2$ on nano-porous TPABr(Tetrapropylammoniumbromide) templating silica/alumina composite membrane were studied by using GMS (Generalized Maxwell Stefan) model. Since the transport mechanisms of meso-porous alumina support are Knudsen diffusion and viscous diffusion(or poiseulle flow), they can be identified by DGM (dusty gas model). The transport mechanism of TPABr templating silica layer, which would contribute mainly to the separation of $N_2/CO_2$ mixture, showed surface diffusion rather than pore diffusion. Therefore, the oermeationjseparation mechanisms in multi-component suface diffusion were successfully analyzed by the GMS model. In the separation of $N_2/CO_2$ mixture using the composite membrane, $CO_2$, the strongadsorbate, was permeated through the membrane more than Na due to the pore-blocking phenomena of $CO_2$ by adsorption isotherm and solace diffusion.

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Hydrogen Separation by Compact-type Silica Membrane Process (컴팩트 타입 실리카막 공정을 이용한 수소 분리)

  • Moon, Jong-Ho;Bae, Ji-Han;Lee, Sang-Jin;Chung, Jong-Tae;Lee, Chang-Ha
    • 한국신재생에너지학회:학술대회논문집
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    • 2006.11a
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    • pp.336-339
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    • 2006
  • With the steady depletion off fossil fuel reserves, hydrogen based energy sources become increasingly attractive. Therefore hydrogen production or separation technologies, such as Bas separation membrane based on adsorption technology, have received enormous attention in the industrial and academic fields. In this study, the transport mechanisms of the MTES (methyltriethoxysilane) templating silica/a-alumina composite membrane were evaluated by using unary, binary and quaternary hydrogen gas mixtures permeation experiments at unsteady- and steady-states. Since the permeation flux in the MTES membrane, through the experimental and theoretical study, was affected by molecular sieving effects as well as surface diffusion properties, the kinetic and equilibrium separation should be considered simultaneously in the membrane according to molecular properties. In order to depict the transient multi-component permeation on the templating silica membrane, the GMS (generalized Maxwell-Stefan) and DGM (dust Bas model) were adapted to unsteady-state material balance

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Hydrogen Separation of binary gas mixture Using Templating Silica Membrane (유기 템플레이팅 실리카 막을 이용한 이성분 수소 혼합기체 분리 메커니즘)

  • Bae, Ji-Han;Han, Yoon-Jin;Lee, Chang-Ha
    • 한국신재생에너지학회:학술대회논문집
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    • 2008.05a
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    • pp.522-525
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    • 2008
  • 최근 세라믹 막은 우수한 화학적, 열적 안정성으로 기체 분리 공정에 각광을 받아 왔다. 특히 혼합기체에서 고 순도의 수소를 분리해 내는 기술은 연료전지 공정에서 화학 에너지를 전기화학 에너지로 전환시키는데 중요한 역할을 차지한다. 본 연구에서는MTES 템플레이팅 막을 이용하여 이 막 공정의 흡착 및 투과 특성을 규명하고, 이성분 혼합기체에서 고 순도의 수소를 추출해 낼 수 있는 최적 조건을 도출해 내었다. 또한, 기체 분리 거동을 살펴보기 위해 Gproms Dynamic Simulator를 이용하였으며, 이때 기체상의 물질전달을 모사하기 위해 Dust Gas Model(DGM)을, 표면 확산 거동을 모사하기 위해 Generalized Stefan-Maxwell(GSM)식을 적용하였다. 이를 통해 평형론적 흡착 뿐 아니라 속도론적 흡착을 동시에 적용할 수 있게 하였다. MTES 템플레이팅 막의 흡착 및 분리능을 규명하기 위해 본 연구에서는 혼합기체의 투과, 분리 실험이 선행되었다. 실험 조건은 온도범위 323$\sim$473 K, 압력범위 0$\sim$7 atm에서 수행되었으며, 혼합기체는2성분으로 수소-메탄, 수소-이산화탄소, 수소-질소로 기체의 구성비는 각각 50:50 이다. 본 연구를 통해 각 혼합 기체들이 정상상태에 도달하는 시간과 분리능을 계산해 내었으며, 이 분리능을 다시 온도와 압력에 따른 결과로 분석하여 어느 조건에서의 수소 분리도가 최고치를 보이는지를 규명했으며, 시뮬레이션과 비교,대조하여 예측도를 검사하였다.

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Hydrogen Separation of Membrane Using MTES Templating Silica Membrane (MTES(methyltriethoxysilane)템플레이팅 실리카막을 이용한 수소 혼합기체 분리)

  • Bae, Ji-Han;Kim, Kyung-Min;Jung, Jong-Tae;Lee, Chang-Ha
    • 한국신재생에너지학회:학술대회논문집
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    • 2007.11a
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    • pp.105-108
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    • 2007
  • 최근 세라믹 막은 우수한 화학적, 열적 안정성으로 기체 분리 공정에 각광을 받아왔다. 특히 혼합기체에서 고 순도의 수소를 분리해 내는 기술은 연료전지 공정에서 화학 에너지를 적기화학 에너지로 전환시키는데 중요한 역할을 차지한다. 본 연구에서는 MTES 템플레이팅 막을 이용하여 이 막 공정의 흡착 및 투과 특성을 규명하고, 이성분 혼합기체에서 고 순도의 수소를 추출해 낼 수 있는 최적 조건을 도출해 내었다. 또한, 기체 분리 거동을 살펴보기 위해 Gproms Simulator를 이용하였으며, 이때 기체상의 물질전달을 모사하기 위해 Dust Gas Model(DGM)을, 표면 확산 거동을 모사하기 위해 Generalized Stefan-Maxwell(GSM)식을 적용하였다. 이를 통해 평형론적 흡착 뿐 아니라 속도론적 흡착을 동시에 적용할 수 있게 하였다. MTES 템플레이팅 막의 흡착 및 분리능을 규명하기 위해 본 연구에서는 혼합기체의 투과, 분리 실험이 선행되었다. 실험 조건은 온도범위 $30{\sim}50$ $^{\circ}C$, 압력범위 $0{\sim}5$ atm에서 수행되었으며, 혼합기체는 2성분으로 수소 메탄, 수소-이산화탄소, 수소-질소로 기체의 구성비는 각각 50:50 이다. 본 연구를 통해 각 혼합 기체들이 정상상태에 도달하는 시간과 분리능을 계산해 내었으며, 이 분리능을 다시 온도와 압력에 따른 결과로 분석하여 어느 조건에서의 수소 분리도가 최고치를 보이는지를 규명했으며, 시뮬레이션과 비교, 대조하여 예측도를 검사하였다.

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Performance Analysis of Fuel Cell by Controlling Active Layer Thickness of Catalyst (촉매 활성층 두께 제어를 통한 연료전지 성능 해석)

  • Kim, H.G.
    • Transactions of the Korean Society of Machine Tool Engineers
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    • v.16 no.3
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    • pp.133-140
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    • 2007
  • A 2-D model of fluid flow, mass transport and electrochemistry is analysed to examine the effect of current density at the current collector depending on active layer thickness of catlyst in polymer elecrolyte fuel cells. The finite element method is used to solve the continuity, potential and Maxwell-Stefan equations in the flow channel and gas diffusion electrode regions. For the material behavior of electrode reactions in the active catalyst layers, the agglomerate model is implemented to solve the diffusion-reaction problem. The calculated model results are described and compared with the different thickness of active catalyst layers. The significance of the results is discussed in the viewpoint of the current collecting capabilities as well as mass transportation phenomena, which is inferred that the mass transport of reactants dictates the efficiency of the electrode in the present analysis.

Numerical Modeling of Solid Alkaline Fuel Cell (고체 알칼리 연료전지 모델링)

  • Kim, Kyoungyoun;Sohn, Young-Jun;Choi, Young-Woo;Park, Seok-Hee;Kim, Chang-Soo
    • 한국신재생에너지학회:학술대회논문집
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    • 2011.05a
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    • pp.98.1-98.1
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    • 2011
  • We present here an isothermal, one-dimensional, steady-state model for a solid alkaline fuel cell (SAFC) with an anion exchange membrane. The conducting ions now move from the cathode to the anode in SAFC. The water is produced at the anode and is also a stoichiometric reactant at the cathode as well as hydrogen and oxygen. In the present model, a net-water-per-proton flux ratio can be predicted and the water transport in the SAFC is explained for various operating conditions.

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CFD Simulation Tool for Anode-Supported Flat-Tube Solid Oxide Fuel Cell

  • Youssef M. Elsayed.;Lim, Tak-Hyoung;Song, Rak-Hyun;Lee, Seung-Bok;Shin, Dong-Ryul
    • Journal of the Korean Electrochemical Society
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    • v.9 no.4
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    • pp.151-157
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    • 2006
  • A two-dimensional numerical model to study the performance of anode-supported flat-tube solid oxide fuel cell (SOFC) far the cross section of the cell in the flow direction of the fuel and air flows is developed. In this model a mass and charge balance, Maxwell-Stefan equation as well as the momentum equation by using, Darcy's law are applied in differential form. The finite element method using FEMLAB commercial software is used for meshing, discritization and solving the system of coupled differential equations. The current density distribution and fuel consumption as well as water production are analyzed. Experimental data is used to verify a predicted voltage-current density and power density versus current density to judge on the model accuracy.

Hydrogen Separation from Binary and Quaternary Gas Mixtures Using Organic Templating Silica Membrane (유기템플레이팅 실리카막을 이용한 이성분 및 사성분 수소 분리)

  • Moon, Jong-Ho;Bae, Ji-Han;Chung, Jong-Tae;Lee, Jae-Wook;Lee, Chang-Ha
    • 한국신재생에너지학회:학술대회논문집
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    • 2007.06a
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    • pp.9-12
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    • 2007
  • The transport mechanisms of the MTES (methyltriethoxysilane) templating silica/a-alumina composite membrane were evaluated by using four binary and one quaternary hydrogen mixtures through permeation experiments at unsteady- and steady-states. Since the permeation flux in the MTES membrane, through the experimental and theoretical studies, was affected by molecular sieving effects as well as surface diffusion properties, the kinetic and equilibrium separation should be considered simultaneously according to molecular properties. In order to depict the transient multi-component permeation on the templating silica membrane, the GMS (generalized Maxwell-Stefan) and DGM (dust gas model) were adapted to unsteady-state material balance.

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The characteristic analysis and model of PEM fuel cell for residential application (가정용 고분자 연료전지의 모델과 특성해석)

  • Cho, Y.R.;Kim, N.H.;Han, K.H.;Joo, K.D.;Yun, S.Y.;Baek, S.H.
    • Proceedings of the KIEE Conference
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    • 2005.04a
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    • pp.277-279
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    • 2005
  • The imbalance of energy demand and supply caused by rapid industrialization around the world and the associated environmental issues require and alternative energy source with possible renewable fuels. Political instability and depletion of cruel oils are other factors that cause fluctuation of oil price. Securing a new alternative energy source for the next century became an urgent issue that our nation is confronting with. As a matter of fact, the fuel cell technology can be widely used as next generation energy regardless of regions and climate. Specially, the ability of expansion and quick installation enable one to apply it for distributed power, where the technology is already gaining remarkable attentions for the application. Particularly, leading industrialized nations are focusing on the PEM fuel dell with anticipation that this technology will find their place of applications in the vehicles and homes. In this study, demonstrate the multi physics modeling of a proton exchange membrane(PEM) fuel cell with interdigitated flow field design. The model uses current balances, mass balance(Maxwell-Stefan diffusion for reactant, water and nitrogen gas) and momentum balance(gas flow) to simulate the PEM fuel cell behavior.

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