• Title/Summary/Keyword: Proton transport

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Effect of Force-field Types on the Proton Diffusivity Calculation in Molecular Dynamics (MD) Simulation (분자동역학 전산모사에서 force-field의 종류가 수소이온 확산도 계산에 미치는 영향)

  • Lee, Ji Hyun;Park, Chi Hoon
    • Membrane Journal
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    • v.27 no.4
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    • pp.358-366
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    • 2017
  • The most important factor in the performances of polymer electrolyte membranes for fuel cells is how fast hydrogen ions can be transported along the water channel formed inside the electrolyte membrane. Since the morphology of the water channel and the diffusivity of the protons are very important factors for the proton transport behavior, various molecular dynamics simulation studies are being carried out to clarify this. The force-field is an important variable parameterizing the movement and interaction of each atom in molecular dynamics simulation. In this study, proton diffusivities of the 3D models of polymer electrolyte membranes were calculated in order to analyze the effects of various types of force-fields on the molecular simulation. It has been found that the charge value determining the non-bonding interaction plays a very important role in the formation of the water channel morphology, and the COMPASS force-field can calculate the accurate proton diffusion behavior. Accordingly, for molecular dynamics simulation of polymer electrolyte membranes, the proper selection of the force-field is very important due to its great effect on the proton diffusion as well as the final molecular structure.

Proton Transport in Human Placental Microvillous Membrane Vesicles

  • Ri, Ok-Kyung;Jung, Jin-Sup;Kim, Won-Whe;Lee, Sang-Ho
    • The Korean Journal of Physiology
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    • v.25 no.1
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    • pp.49-60
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    • 1991
  • The change of the acridine orange absorbance was used to monitor the formation and/or dissipation of a pH gradient in microvillous membrane vesicles (MVV) isolated from human term placenta. Under $Na^+$ efflux conditions, an acidification of the intravesicular space occured and it was completely inhibited by 0.1 mM amiloride. Under $K^+$ efflux conditions, an acidification of the intravesicular space occured and it was potentiated by valinomycin or FCCP. An inwardly directed chloride gradient also induced a minor intravesicular acidification, but it was not observed in voltage-clampled MVV. The initial rate of the dissipation of a pH gradient was accelerated by pulse injections of $Na^+$ in a saturable manner and $Li^+$ could replace $Na^+$. The kinetic parameter of $Na^+$ in placental $Na^+/H^+$ exchange was similar to that of renal $Na^+/H^+$ exchange. Amiloride was a inhibitor of directly coupled $Na^+/H^+$ exchange and its $IC_{50}$ in placental MVV was about 14-fold higher than that in renal brush border membrane. These results indicate that $Na^+/H^+$ exchanger exists in human placental MVV and that its kinetic characteristics is similar to that of renal $Na^+/H^+$ exchanger but its pharmacological characteristics is different. In placental MVV $K^+,\;H^+$, and, relatively minor chloride conductances are present. The magnitude of $Cl^-/OH^-$ exchange, even though it exists, seems to be smaller than that of $Na^+/H^+$ exchange.

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System Response of Automotive PEMFC with Dynamic Modeling under Load Change (차량용 PEMFC 동적 모델을 이용한 시스템 부하 응답 특성)

  • Han, Jaeyoung;Kim, Sungsoo;Yu, Sangseok
    • Transactions of the Korean Society of Automotive Engineers
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    • v.21 no.1
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    • pp.43-50
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    • 2013
  • The stringent emission regulation and future shortage of fossil fuel motivate the research of alternative powertrain. In this study, a system of proton exchange membrane fuel cell has been modeled to analyze the performance of the fuel cell system for automotive application. The model is composed of the fuel cell stack, air compressor, humidifier, and intercooler, and hydrogen supply which are implemented by using the Matlab/Simulink(R). Fuel cell stack model is empirical model but the water transport model is included so that the system performance can be predicted over various humidity conditions. On the other hand, the model of air compressor is composed of motor, static air compressor, and some manifolds so that the motor dynamics and manifold dynamics can be investigated. Since the model is concentrated on the strategic operation of compressor to reduce the power consumption, other balance of components (BOP) are modeled to be static components. Since the air compressor model is empirical model which is based on curve fitting of experiments, the stack model is validated with the commercial software and the experiments. The dynamics of air compressor is investigated over unit change of system load. The results shows that the power consumption of air compressor is about 12% to 25% of stack gross power and dynamic response should be reduced to optimize the system operation.

Optimization of shielding to reduce cosmic radiation damage to packaged semiconductors during air transport using Monte Carlo simulation

  • Lee, Ju Hyuk;Kim, Hyun Nam;Jeong, Heon Yong;Cho, Sung Oh
    • Nuclear Engineering and Technology
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    • v.52 no.8
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    • pp.1817-1825
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    • 2020
  • Background: Cosmic ray-induced particles can lead to failure of semiconductors packaged for export during air transport. This work performed MCNP 6.2 simulations to optimize shielding against neutrons and protons induced by cosmic radiation Methods and materials: The energy spectra of protons and neutrons by incident angle at the flight altitude were determined using atmospheric cuboid model. Various candidates for the shielding materials and the geometry of the Unit Load Device Container were evaluated to determine the conditions that allow optimal shielding at all sides of the container. Results: It was found that neutrons and protons, at the flight altitude, generally travel with a downward trajectory especially for the particles with high energy. This indicated that the largest number of particles struck the top of the container. Furthermore, the simulation results showed that, among the materials tested, borated polyethylene and stainless steel were the most optimal shielding materials. The optimal shielding structure was also determined with the weight limit of the container in consideration. Conclusions: Under the determined optimal shielding conditions, a significantly reduced number of neutrons and protons reach the contents inside the container, which ultimately reduces the possibility of semiconductor failure during air transport.

Bioavailabilities of Omeprazole Administered to Rats through Various Routes

  • Choi, Mi-Sook;Lee, Young-Hee;Shim, Chang-Koo
    • Archives of Pharmacal Research
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    • v.18 no.3
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    • pp.141-145
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    • 1995
  • Omeprazole, a proton pump inhibitor, was given intravenously (iv), orally (po), intraperitoneally (ip), hepatoportalvenously (pv), and intrarectally (ir) to rats at a dose of 72mg/kg in order to investigate the bioavailability of the drug, The extent of bioavailabilities of omeprazole administered through pv, ip, po, and ir routes were 88.5, 79.4, 40,8, and 38.7%, respectively. Pharmacokinetic analysis in this study and literatures (Regardh et al., 1985 : Watanabe et al., 1994) implied significant dose-dependency in hepatic first-pass metabolism, clearance and distribution, and acidic degradation in gastric fluid. The high bioavailability from the pv administration (88.5%) means that only 11.5% of dose was extracted by the first-pass metabolism through the liver at this dose (72 mg/kg). The low bioavailability from the oral administration (40.8%) in spite of minor hepatic first-pass extraction indicates low transport of the drug from GI lumen to portal vein. From the literature (Pilbrant and Cederberg, 1985), acidic degradation in gastric fluid was considered to be the major cause of the low transport. Thus, enteric coating of oral preparations would enhance the oral bioavailability substantially. The bioavailability of the drug from the rectal route, in which acidic degradation and hepatic first-pass metabolism may not occur, was low (38.7%) but comparable to that from the oral route (40.8 %) indicating poor transport across the rectal membrane. In this case, addition of an appropriate absorption enhancer would improve the bioavailability. Rectal route seems to be an possible alternative to the conventional oral route for omeprazole administration.

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Transepithelial transport and dynamic changes on apical membrane area of turtle bladder (Turtle Bladder 정단세포막(丁端細胞膜)의 역동적(力動的) 변화와 상피수송(上皮輸送)에 관하여)

  • Jeon, Jin-Seok
    • Applied Microscopy
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    • v.23 no.1
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    • pp.1-14
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    • 1993
  • The present study was carried out to analyze the evidence of membrane recycling, and the regulation of cellular transport by dynamic changes in apical membrane area that functionally interacts with the number of cytoplasmic vesicles. Under scanning electron micrographs, turtle bladder mucosa contain three main type of cells; granular cells and carbonic anhydrase (CA)-rich cells, deviding into a and b type of epithelial cell. The granular cell is the majority cell type of the mucosa comprising 80% of the total cell number. The remaining 20% of the cells are characteristically rich in carbonic anhydrase. Uptake of HRP was detected in the most vacuoles or tubulovesicles in both type of CA-rich cells in the turtle bladder, indicating that the part of plasma membrane was internalized in the apical cytoplasmic vacuoles. It seems quite likely that CA-rich cells possess intracellular vesicles carrying proton pumps which are recycling back to the apical plasma membrane. In turtle bladder, the granular cells actively secrete large quantities of mucin and other proteins by an exocytotic mechanism in an apparently constitutive fashion. The possibility that bladder epithelial cells secrete mucin via a regulated secretory pathway has not been rigorously examined and much is still to be determined about these issues from this cell type.

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Performance Characteristics of PEMFC by flow Configurations and Operating Condition (유로형상 및 운전조건에 따른 고분자 전해질 연료전지의 성능 특성)

  • Lee, Pil-Hyong;Cho, Son-Ah;Han, Sang-Seok;Hwang, Sang-Soon
    • Proceedings of the KSME Conference
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    • 2007.05b
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    • pp.3440-3445
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    • 2007
  • For proton exchange membrane fuel cell, it is very important to design the flow channel on separation plate optimally to maximize the current density at same electrochemical reaction surface and reduce the concentration polarization occurred at high current density. In this paper, three dimensional computation model including anode and cathode domain together was developed to examine effects of flow patterns and operation conditions such as humidity and operating temperature on performance of fuel cell. Results show that voltage at counter flow condition is higher than that at coflow condition in parallel and interdigitated flow pattern. And fuel cell with interdigitated flow pattern which has better mass transport by convection flow through gas diffusion layer has higher performance than with parallel flow pattern but its pressure drop is increased such that the trade off between performance and pressure drop should be considered for selection of flow pattern of fuel cell.

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Heat transport characteristics by heat generation of electrochemical reactions in proton exchange membrane fuel cell (고분자전해질 연료전지에서 전기화학반응 열생성에 의한 열전달특성)

  • Cho, Son-Ah;Lee, Pil-Hyong;Han, Sang-Seok;Hwang, Sang-Soon
    • Proceedings of the KSME Conference
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    • 2007.05b
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    • pp.3377-3382
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    • 2007
  • In proton exchange membrane fuel cell, the heat is generated at the catalyst layer as result of exothermic electrochemical reaction. This heat increases temperature of gas diffusion layer and membrane whose conductivity is very sensitive to humidity, function of temperature. So it is very important to analysis heat transfer through fuel cell to maintain temperature at specified range. In this paper numerical simulation was done including reversible, irreversible, ionic resistance, water formation loss to source term of energy equation. Results show that irreversible and water formation loss contributes mainly to energy source term and as current density increases, all of energy source terms become increased and Nusselt number is increased as results of more heat generation. Particularly irreversible loss is found to be predominant among the all energy source and water formation at cathode channel influences the temperature distribution of fuel cell greatly.

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Synthesis and Characterization of Proton Conducting Graft Copolymer Membranes (수소이온 전도성 가지형 공중합체 전해질막 제조 및 분석)

  • Roh, Dong Kyu;Koh, Jong Kwan;Seo, Jin Ah;Kim, Jong Hak
    • 한국신재생에너지학회:학술대회논문집
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    • 2010.06a
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    • pp.126.2-126.2
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    • 2010
  • The "grafting from" technology to prepare the well-defined microphase-separated structure of polymer using atom transfer radical polymerization (ATRP) will be introduced in this presentation. Various amphiphilic comb copolymers were synthesized through this approach using poly (vinylidene fluoride) (PVDF), poly (vinylidene fluoride-co-chlorotrifluoroethylene) (P(VDF-co-CTFE) and poly(vinyl chloride) (PVC) as a macroinitiator. Hydrophilic side chains such as poly (styrene sulfonic acid) (PSSA) or poly (sulfopropyl methacrylate) (PSPMA) were grafted from the mains chains using direct initiation of the chlorine atoms. The structure of mass transport channels has been controlled and fixed by crosslinking the hydrophobic domains, which also provides the greater mechanical properties of membranes. Successful synthesis and microphase-separated structure of the polymer were confirmed by $^1H$ NMR, FT-IR spectroscopy and TEM. The grafted/crosslinked membranes exhibited good mechanical properties (400 MPa of Young's modulus) and high thermal stability (up to $300^{\circ}C$), as determined by a universal testing machine (UTM) and TGA, respectively.

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Liquid Uptake and Methanol Transport Behaviour of PVDF/SPEEK/TiO2 Hybrid Membrane for DMFC (DMFC용 PVDF/SPEEK/TiO2 하이브리드 막의 수분함량과 메탄올 전이현상)

  • You, Sun-Kyung;Kim, Han-Joo;Park, Soo-Gil
    • Journal of the Korean Electrochemical Society
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    • v.8 no.4
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    • pp.177-180
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    • 2005
  • A series of inorganic-organic hybrid membranes were prepared with a systematic variation of titanium dioxide nano particles content. Their liquid uptake, methanol permeability and proton conductivity as a function of inorganic oxide content were investigated. The results obtained show that the inorganic oxide network decreases the proton conductivity and liquid uptake. It is also found that increase in inorganic oxide content leads to decrease of methanol permeability. In terms of the morphology, membranes are homogeneous and exhibit a good adhesion between inorganic domains and the polymer matrix. The properties of the composite membranes are compared with the standard nafion membrane.