Exchangers man the pumps: Functional interplay between proton pumps and proton-coupled Ca(2+) exchangers

Science.gov (United States)

Tonoplast-localised proton-coupled Ca(2+) transporters encoded by cation/H(+) exchanger (CAX) genes play a critical role in sequestering Ca(2+) into the vacuole. These transporters may function in coordination with Ca(2+) release channels, to shape stimulus-induced cytosolic Ca(2+) elevations. Recen...

Imade-imide cross-linked PEEK proton exchange membrane.

CSIR Research Space (South Africa)

Luo, H

2009-08-01

Full Text Available The proton exchange membrane is a key component of polymer electrolyte membrane fuel cell (PEMFC). It plays an important role, conducts protons and separates the fuel from oxidant in PEMFC. DuPont’s Nafion is a perfluorinated sulfonic acid polymer...

Spin-locking versus chemical exchange saturation transfer MRI for investigating chemical exchange process between water and labile metabolite protons.

Science.gov (United States)

Jin, Tao; Autio, Joonas; Obata, Takayuki; Kim, Seong-Gi

2011-05-01

Chemical exchange saturation transfer (CEST) and spin-locking (SL) experiments were both able to probe the exchange process between protons of nonequivalent chemical environments. To compare the characteristics of the CEST and SL approaches in the study of chemical exchange effects, we performed CEST and SL experiments at varied pH and concentrated metabolite phantoms with exchangeable amide, amine, and hydroxyl protons at 9.4 T. Our results show that: (i) on-resonance SL is most sensitive to chemical exchanges in the intermediate-exchange regime and is able to detect hydroxyl and amine protons on a millimolar concentration scale. Off-resonance SL and CEST approaches are sensitive to slow-exchanging protons when an optimal SL or saturation pulse power matches the exchanging rate, respectively. (ii) Offset frequency-dependent SL and CEST spectra are very similar and can be explained well with an SL model recently developed by Trott and Palmer (J Magn Reson 2002;154:157-160). (iii) The exchange rate and population of metabolite protons can be determined from offset-dependent SL or CEST spectra or from on-resonance SL relaxation dispersion measurements. (iv) The asymmetry of the magnetization transfer ratio (MTR(asym)) is highly dependent on the choice of saturation pulse power. In the intermediate-exchange regime, MTR(asym) becomes complicated and should be interpreted with care. Copyright © 2010 Wiley-Liss, Inc.

Multicomponent density functional theory embedding formulation

Energy Technology Data Exchange (ETDEWEB)

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave, Urbana, Illinois 61801 (United States)

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Covariant density functional theory for decay of deformed proton emitters: A self-consistent approach

Directory of Open Access Journals (Sweden)

L.S. Ferreira

2016-02-01

Full Text Available Proton radioactivity from deformed nuclei is described for the first time by a self-consistent calculation based on covariant relativistic density functionals derived from meson exchange and point coupling models. The calculation provides an important new test to these interactions at the limits of stability, since the mixing of different angular momenta in the single particle wave functions is probed.

H3PO4 imbibed polyacrylamide-graft-chitosan frameworks for high-temperature proton exchange membranes

Science.gov (United States)

Yuan, Shuangshuang; Tang, Qunwei; He, Benlin; Chen, Haiyan; Li, Qinghua; Ma, Chunqing; Jin, Suyue; Liu, Zhichao

2014-03-01

Proton exchange membrane (PEM), transferring protons from anode to cathode, is a key component in a PEM fuel cell. In the current work, a new class of PEMs are synthesized benefiting from the imbibition behavior of three-dimensional (3D) polyacrylamide-graft-chitosan (PAAm-graft-chitosan) frameworks to H3PO4 aqueous solution. Interconnected 3D framework of PAAm-graft-chitosan provides tremendous space for holding proton-conducting H3PO4. The highest anhydrous proton conductivity of 0.13 S cm-1 at 165 °C is obtained. A fuel cell using a thick membrane as a PEM showed a peak power density of 405 mW cm-2 with O2 and H2 as the oxidant and fuel, respectively. Results indicate that the interconnected 3D framework provides superhighway for proton conduction. The valued merits on anhydrous proton conductivity, huge H3PO4 loading, and easy synthesis promise the new membranes to be good alternatives as high-temperature PEMs.

Aprotic solvent systems provide mechanistic windows for biomolecular reactions: nucleic acid proton exchange

International Nuclear Information System (INIS)

McConnell, B.; Tan, A.

1986-01-01

Detection of general acid-base catalysis of proton transfer reactions in aqueous cytidine (or adenosine) is completely obscured by the highly reactive endocyclic protonated species of the nucleobase, whose amino proton lifetime is much shorter than that of the neutral form. In aqueous solution, protonation of the nucleobase always accompanies protonation of the buffer catalyzing exchange. However, in DMSO/water mixtures this is not the case; aqueous protonated acetate or chloroacetate can be added to cytidine in DMSO solutions without further dissociation of the buffer or significant protonation of cytidine N-3. Under these conditions general acid catalysis is observed, which involves an H-bonded complex between cytidine (N-3) and the buffer acid. Increased amino proton exchange in response to H-bond donation to C(N-3) is further suggested by increased 1 H NMR saturation-recovery rates with the formation of G-C base-pairs in DMSO and by the inverse dependence of amino proton exchange on nucleoside concentration

Influence of Silica/Sulfonated Polyether-Ether Ketone as Polymer Electrolyte Membrane for Hydrogen Fueled Proton Exchange Membrane Fuel Cells

Directory of Open Access Journals (Sweden)

Sri Handayani

2011-12-01

Full Text Available The operation of non-humidified condition of proton exchange membrane fuel cell (PEMFC using composite sPEEK-silica membrane is reported. Sulfonated membrane of PEEK is known as hydrocarbon polyelectrolyte membrane for PEMFC and direct methanol fuel cell (DMFC. The state of the art of fuel cells is based on the perluorosulfonic acid membrane (Nafion. Nafion has been the most used in both PEMFC and DMFC due to good performance although in low humidified condition showed poor current density. Here we reported the effect of silica in hydrocarbon sPEEK membrane that contributes for a better water management system inside the cell, and showed 0.16 W/cm2 of power density which is 78% higher than that of non-silica modified [Keywords: composite membrane, polyether-ether ketone, silica, proton exchange membrane fuel cell].

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

Science.gov (United States)

Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

2016-05-01

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

Energy Technology Data Exchange (ETDEWEB)

Sun, Jianwei; Yang, Zenghui; Peng, Haowei [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Perdew, John P. [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122 (United States)

2016-05-21

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

International Nuclear Information System (INIS)

Sun, Jianwei; Yang, Zenghui; Peng, Haowei; Perdew, John P.

2016-01-01

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

On the proton exchange contribution to electron-hydrogen atom elastic scattering

International Nuclear Information System (INIS)

Mignaco, J.A.; Tort, A.C.

1979-05-01

It is shown that the exchange contribution to the electron-proton potential Born term in elastic electron-hydrogen atom scattering arises as the non relativistic limit from the exchange of a proton between the two participant electrons - calculated from quantum electrodynamics including properly bound states (as solution of Bethe - Salpeter equation). (Author) [pt

Proton exchange in systems: Glucose-water and uric acid-water

International Nuclear Information System (INIS)

Maarof, S.

2007-01-01

It is clear that formation of glucose-water and uric acid-water solutions is related in principle to interaction accepter - donor between hydrogen atom in water and oxygen atom in glucose or uric acid. The proton exchange in hydrogen bond system is an integral process and it goes by tunnel mechanism (transfer of proton within the hydrogen bridge in these structures). Proton exchange process goes very quickly at low concentrations for glucose and uric acid solutions, because these compounds are able to form more than one hydrogen bond, which helps the proton transfer within obtained structure. However, at its high concentrations, the process becomes very slow due to higher viscosity of its solutions, which result in break down of the structures, and more hydrogen bonds. (author)

Stereochemistry-Dependent Proton Conduction in Proton Exchange Membrane Fuel Cells.

Science.gov (United States)

Thimmappa, Ravikumar; Devendrachari, Mruthyunjayachari Chattanahalli; Kottaichamy, Alagar Raja; Tiwari, Omshanker; Gaikwad, Pramod; Paswan, Bhuneshwar; Thotiyl, Musthafa Ottakam

2016-01-12

Graphene oxide (GO) is impermeable to H2 and O2 fuels while permitting H(+) shuttling, making it a potential candidate for proton exchange membrane fuel cells (PEMFC), albeit with a large anisotropy in their proton transport having a dominant in plane (σIP) contribution over the through plane (σTP). If GO-based membranes are ever to succeed in PEMFC, it inevitably should have a dominant through-plane proton shuttling capability (σTP), as it is the direction in which proton gets transported in a real fuel-cell configuration. Here we show that anisotropy in proton conduction in GO-based fuel cell membranes can be brought down by selectively tuning the geometric arrangement of functional groups around the dopant molecules. The results show that cis isomer causes a selective amplification of through-plane proton transport, σTP, pointing to a very strong geometry angle in ionic conduction. Intercalation of cis isomer causes significant expansion of GO (001) planes involved in σTP transport due to their mutual H-bonding interaction and efficient bridging of individual GO planes, bringing down the activation energy required for σTP, suggesting the dominance of a Grotthuss-type mechanism. This isomer-governed amplification of through-plane proton shuttling resulted in the overall boosting of fuel-cell performance, and it underlines that geometrical factors should be given prime consideration while selecting dopant molecules for bringing down the anisotropy in proton conduction and enhancing the fuel-cell performance in GO-based PEMFC.

Guanidinium chloride induction of partial unfolding in amide proton exchange in RNase A.

Science.gov (United States)

Mayo, S L; Baldwin, R L

1993-11-05

Amide (NH) proton exchange rates were measured in 0.0 to 0.7 M guanidinium chloride (GdmCl) for 23 slowly exchanging peptide NH protons of ribonuclease A (RNase A) at pH* 5.5 (uncorrected pH measured in D2O), 34 degrees C. The purpose was to find out whether GdmCl induces exchange through binding to exchange intermediates that are partly or wholly unfolded. It was predicted that, when the logarithm of the exchange rate is plotted as a function of the molarity of GdmCl, the slope should be a measure of the amount of buried surface area exposed to GdmCl in the exchange intermediate. The results indicate that these concentrations of GdmCl do induce exchange by means of a partial unfolding mechanism for all 23 protons; this implies that exchange reactions can be used to study the unfolding and stability of local regions. Of the 23 protons, nine also show a second mechanism of exchange at lower concentrations of GdmCl, a mechanism that is nearly independent of GdmCl concentration and is termed "limited structural fluctuation."

Effect of glycidyl methacrylate (GMA) incorporation on water uptake and conductivity of proton exchange membranes

Science.gov (United States)

Sproll, Véronique; Schmidt, Thomas J.; Gubler, Lorenz

2018-03-01

The aim of this work was to investigate how hygroscopic moieties like hydrolyzed glycidyl methacrylate (GMA) influence the properties of sulfonated polysytrene based proton exchange membranes (PEM). Therefore, several membranes were synthesized by electron beam treatment of the ETFE (ethylene-alt-tetrafluoroethylene) base film with a subsequent co-grafting of styrene and GMA at different ratios. The obtained membranes were sulfonated to introduce proton conducting groups and the epoxide moiety of the GMA unit was hydrolyzed for a better water absorption. The PEM was investigated regarding its structural composition, water uptake and through-plane conductivity. It could be shown that the density of sulfonic acid groups has a higher influence on the proton conductivity of the PEM than an increased water uptake.

Rethinking the Combination of Proton Exchanger Inhibitors in Cancer Therapy.

Science.gov (United States)

Iessi, Elisabetta; Logozzi, Mariantonia; Mizzoni, Davide; Di Raimo, Rossella; Supuran, Claudiu T; Fais, Stefano

2017-12-23

Microenvironmental acidity is becoming a key target for the new age of cancer treatment. In fact, while cancer is characterized by genetic heterogeneity, extracellular acidity is a common phenotype of almost all cancers. To survive and proliferate under acidic conditions, tumor cells up-regulate proton exchangers and transporters (mainly V-ATPase, Na⁺/H⁺ exchanger (NHE), monocarboxylate transporters (MCTs), and carbonic anhydrases (CAs)), that actively extrude excess protons, avoiding intracellular accumulation of toxic molecules, thus becoming a sort of survival option with many similarities compared with unicellular microorganisms. These systems are also involved in the unresponsiveness or resistance to chemotherapy, leading to the protection of cancer cells from the vast majority of drugs, that when protonated in the acidic tumor microenvironment, do not enter into cancer cells. Indeed, as usually occurs in the progression versus malignancy, resistant tumor clones emerge and proliferate, following a transient initial response to a therapy, thus giving rise to more malignant behavior and rapid tumor progression. Recent studies are supporting the use of a cocktail of proton exchanger inhibitors as a new strategy against cancer.

Preparation and characterization of self-crosslinked organic/inorganic proton exchange membranes

Science.gov (United States)

Zhong, Shuangling; Cui, Xuejun; Dou, Sen; Liu, Wencong

A series of silicon-containing sulfonated polystyrene/acrylate (Si-sPS/A) nanoparticles are successfully synthesized via simple emulsion polymerization method. The Si-sPS/A latexes show good film-forming capability and the self-crosslinked organic/inorganic proton exchange membranes are prepared by pouring the Si-sPS/A nanoparticle latexes into glass plates and drying at 60 °C for 10 h and 120 °C for 2 h. The potential of the membranes in direct methanol fuel cells (DMFCs) is characterized preliminarily by studying their thermal stability, ion-exchange capacity, water uptake, methanol diffusion coefficient, proton conductivity and selectivity (proton conductivity/methanol diffusion coefficient). The results indicate that these membranes possess excellent thermal stability and methanol barrier due to the existence of self-crosslinked silica network. In addition, the proton conductivity of the membranes is in the range of 10 -3-10 -2 S cm -1 and all the membranes show much higher selectivity in comparison with Nafion ® 117. These results suggest that the self-crosslinked organic/inorganic proton exchange membranes are particularly promising in DMFC applications.

Direct sorbitol proton exchange membrane fuel cell using moderate catalyst loadings

International Nuclear Information System (INIS)

Oyarce, Alejandro; Gonzalez, Carlos; Lima, Raquel Bohn; Lindström, Rakel Wreland; Lagergren, Carina; Lindbergh, Göran

2014-01-01

Highlights: •The performance of a direct sorbitol fuel cell was evaluated at different temperatures. •The performance was compared to the performance of a direct glucose fuel cell. •The mass specific peak power density of the direct sorbitol fuel cell was 3.6 mW mg −1 totalcatalystloading at 80 °C. •Both sorbitol and glucose fuel cell suffer from deactivation. -- Abstract: Recent progress in biomass hydrolysis has made it interesting to study the use of sorbitol for electricity generation. In this study, sorbitol and glucose are used as fuels in proton exchange membrane fuel cells having 0.9 mg cm −2 PtRu/C at the anode and 0.3 mg cm −2 Pt/C at the cathode. The sorbitol oxidation was found to have slower kinetics than glucose oxidation. However, at low temperatures the direct sorbitol fuel cell shows higher performance than the direct glucose fuel cell, attributed to a lower degree of catalyst poisoning. The performance of both fuel cells is considerably improved at higher temperatures. High temperatures lower the poisoning, allowing the direct glucose fuel cell to reach a higher performance than the direct sorbitol fuel cell. The mass specific peak power densities of the direct sorbitol and direct glucose fuel cells at 65 °C was 3.2 mW mg −1 catalyst and 3.5 mW mg −1 catalyst , respectively. Both of these values are one order of magnitude larger than mass specific peak power densities of earlier reported direct glucose fuel cells using proton exchange membranes. Furthermore, both the fuel cells showed a considerably decrease in performance with time, which is partially attributed to sorbitol and glucose crossover poisoning the Pt/C cathode

Ligand and proton exchange dynamics in recombinant human myoglobin mutants.

Science.gov (United States)

Lambright, D G; Balasubramanian, S; Boxer, S G

1989-05-05

Site-specific mutants of human myoglobin have been prepared in which lysine 45 is replaced by arginine (K45R) and aspartate 60 by glutamate (D60E), in order to examine the influence of these residues and their interaction on the dynamics of the protein. These proteins were studied by a variety of methods, including one and two-dimensional proton nuclear magnetic resonance spectroscopy, exchange kinetics for the distal and proximal histidine NH protons as a function of pH in the met cyano forms, flash photolysis of the CO forms, and ligand replacement kinetics. The electronic absorption and proton nuclear magnetic resonance spectra of the CO forms of these proteins are virtually identical, indicating that the structure of the heme pocket is unaltered by these mutations. There are, however, substantial changes in the dynamics of both CO binding and proton exchange for the mutant K45R, whereas the mutant D60E exhibits behavior indistinguishable from the reference human myoglobin. K45R has a faster CO bimolecular recombination rate and slower CO off-rate relative to the reference. The kinetics for CO binding are independent of pH (6.5 to 10) as well as ionic strength (0 to 1 M-NaCl). The exchange rate for the distal histidine NH is substantially lower for K45R than the reference, whereas the proximal histidine NH exchange rate is unaltered. The exchange behavior of the human proteins is similar to that reported for a comparison of the exchange rates for myoglobins having lysine at position 45 with sperm whale myoglobin, which has arginine at this position. This indicates that the differences in exchange rates reflects largely the Lys----Arg substitution. The lack of a simple correlation for the CO kinetics with this substitution means that these are sensitive to other factors as well. Specific kinetic models, whereby substitution of arginine for lysine at position 45 can affect ligand binding dynamics, are outlined. These experiments demonstrate that a relatively

Proton exchange between oxymethyl radical and acids and bases: semiempirical quantum-chemical study

Directory of Open Access Journals (Sweden)

Irina Pustolaikina

2016-12-01

Full Text Available The reactions with proton participation are widely represented in the analytical, technological and biological chemistry. Quantum-chemical study of the exchange processes in hydrogen bonding complexes will allow us to achieve progress in the understanding of the elementary act mechanism of proton transfer in hydrogen bonding chain as well as the essence of the acid-base interactions. Oxymethyl radical •CH2ОН is small in size and comfortable as a model particle that well transmits protolytic properties of paramagnetic acids having more complex structure. Quantum-chemical modeling of proton exchange reaction oxymethyl radical ∙CH2OH and its diamagnetic analog CH3OH with amines, carboxylic acids and water was carried out using UAM1 method with the help of Gaussian-2009 program. QST2 method was used for the search of transition state, IRC procedure was applied for the calculation of descents along the reaction coordinate. The difference in the structure of transition states of ∙CH2OH/ CH3OH with bases and acids has been shown. It has been confirmed that in the case of bases, consecutive proton exchange mechanism was fixed, and in the case of complexes with carboxylic acids parallel proton exchange mechanism was fixed. The similarity in the reaction behavior of paramagnetic and diamagnetic systems in the proton exchange has been found. It was suggested that the mechanism of proton exchange reaction is determined by the structure of the hydrogen bonding cyclic complex, which is, in turn, depends from the nature of the acid-base interactions partners.

Proton exchange in acid–base complexes induced by reaction coordinates with heavy atom motions

International Nuclear Information System (INIS)

Alavi, Saman; Taghikhani, Mahdi

2012-01-01

Highlights: ► Proton exchange in acid–base complexes is studied. ► The structures, binding energies, and normal mode vibrations are calculated. ► Transition state structures of proton exchange mechanism are determined. ► In the complexes studied, the reaction coordinate involves heavy atom rocking. ► The reaction coordinate is not simply localized in the proton movements. - Abstract: We extend previous work on nitric acid–ammonia and nitric acid–alkylamine complexes to illustrate that proton exchange reaction coordinates involve the rocking motion of the base moiety in many double hydrogen-bonded gas phase strong acid–strong base complexes. The complexes studied involve the biologically and atmospherically relevant glycine, formic, acetic, propionic, and sulfuric acids with ammonia/alkylamine bases. In these complexes, the magnitude of the imaginary frequencies associated with the proton exchange transition states are −1 . This contrasts with widely studied proton exchange reactions between symmetric carboxylic acid dimers or asymmetric DNA base pair and their analogs where the reaction coordinate is localized in proton motions and the magnitude of the imaginary frequencies for the transition states are >1100 cm −1 . Calculations on complexes of these acids with water are performed for comparison. Variations of normal vibration modes along the reaction coordinate in the complexes are described.

Multi-block sulfonated poly(phenylene) copolymer proton exchange membranes

Science.gov (United States)

Fujimoto, Cy H [Albuquerque, NM; Hibbs, Michael [Albuquerque, NM; Ambrosini, Andrea [Albuquerque, NM

2012-02-07

Improved multi-block sulfonated poly(phenylene) copolymer compositions, methods of making the same, and their use as proton exchange membranes (PEM) in hydrogen fuel cells, direct methanol fuel cells, in electrode casting solutions and electrodes. The multi-block architecture has defined, controllable hydrophobic and hydrophilic segments. These improved membranes have better ion transport (proton conductivity) and water swelling properties.

Exchangers man the pumps: Functional interplay between proton pumps and proton-coupled Ca2+ exchangers

OpenAIRE

Barkla, Bronwyn J; Hirschi, Kendal D; Pittman, Jon K

2008-01-01

Tonoplast-localised proton-coupled Ca2+ transporters encoded by cation/H+ exchanger (CAX) genes play a critical role in sequestering Ca2+ into the vacuole. These transporters may function in coordination with Ca2+ release channels, to shape stimulus-induced cytosolic Ca2+ elevations. Recent analysis of Arabidopsis CAX knockout mutants, particularly cax1 and cax3, identified a variety of phenotypes including sensitivity to abiotic stresses, which indicated that these transporters might play a ...

NMR studies of proton exchange kinetics in aqueous formaldehyde solutions.

Science.gov (United States)

Rivlin, Michal; Eliav, Uzi; Navon, Gil

2014-05-01

Aqueous solutions of formaldehyde, formalin, are commonly used for tissue fixation and preservation. Treatment with formalin is known to shorten the tissue transverse relaxation time T2. Part of this shortening is due to the effect of formalin on the water T2. In the present work we show that the shortening of water T2 is a result of proton exchange between water and the major constituent of aqueous solutions of formaldehyde, methylene glycol. We report the observation of the signal of the hydroxyl protons of methylene glycol at 2ppm to high frequency of the water signal that can be seen at low temperatures and at pH range of 6.0±1.5 and, at conditions where it cannot be observed by the single pulse experiment, it can be detected indirectly through the water signal by the chemical exchange saturation transfer (CEST) experiment. The above finding made it possible to obtain the exchange rate between the hydroxyl protons of the methylene glycol and water in aqueous formaldehyde solutions, either using the dispersion of the spin-lattice relaxation rate in the rotating frame (1/T1ρ) or, at the slow exchange regime, from the line width hydroxyl protons of methylene glycol. The exchange rate was ∼10(4)s(-1) at pH 7.4 and 37°C, the activation energy, 50.2kJ/mol and its pH dependence at 1.1°C was fitted to: k (s(-1))=520+6.5×10(7)[H(+)]+3.0×10(9)[OH(-)]. Copyright © 2014. Published by Elsevier Inc.

Proton exchange membranes based on PVDF/SEBS blends

Energy Technology Data Exchange (ETDEWEB)

Mokrini, A.; Huneault, M.A. [Industrial Materials Institute, National Research Council of Canada, 75 de Mortagne Blvd., Boucherville, Que. (Canada J4B 6Y4)

2006-03-09

Proton-conductive polymer membranes are used as an electrolyte in the so-called proton exchange membrane fuel cells. Current commercially available membranes are perfluorosulfonic acid polymers, a class of high-cost ionomers. This paper examines the potential of polymer blends, namely those of styrene-(ethylene-butylene)-styrene block copolymer (SEBS) and polyvinylidene fluoride (PVDF), in the proton exchange membrane application. SEBS/PVDF blends were prepared by twin-screw extrusion and the membranes were formed by calendering. SEBS is a phase-segregated material where the polystyrene blocks can be selectively functionalized offering high ionic conductivity, while PVDF insures good dimensional stability and chemical resistance to the films. Proton conductivity of the films was obtained by solid-state grafting of sulfonic acid moieties. The obtained membranes were characterized in terms of conductivity, ionic exchange capacity and water uptake. In addition, the membranes were characterized in terms of morphology, microstructure and thermo-mechanical properties to establish the blends morphology-property relationships. Modification of interfacial properties between SEBS and PVDF was found to be a key to optimize the blends performance. Addition of a methyl methacrylate-butyl acrylate-methyl methacrylate block copolymer (MMA-BA-MMA) was found to compatibilize the blend by reducing the segregation scale and improving the blend homogeneity. Mechanical resistance of the membranes was also improved through the addition of this compatibilizer. As little as 2wt.% compatibilizer was sufficient for complete interfacial coverage and lead to improved mechanical properties. Compatibilized blend membranes also showed higher conductivities, 1.9x10{sup -2} to 5.5x10{sup -3}Scm{sup -1}, and improved water management. (author)

On exact and approximate exchange-energy densities

DEFF Research Database (Denmark)

Springborg, Michael; Dahl, Jens Peder

1999-01-01

Based on correspondence rules between quantum-mechanical operators and classical functions in phase space we construct exchange-energy densities in position space. Whereas these are not unique but depend on the chosen correspondence rule, the exchange potential is unique. We calculate this exchange......-energy density for 15 closed-shell atoms, and compare it with kinetic- and Coulomb-energy densities. It is found that it has a dominating local-density character, but electron-shell effects are recognizable. The approximate exchange-energy functionals that have been proposed so far are found to account only...

Tritium-proton exchange on fresh and oxidized lecithin

International Nuclear Information System (INIS)

Schreiber, J.

1978-01-01

A method for exchange labelling of acid protons in lecithin and for their quantitative determination is described. The suitability of the method is discussed using both lecithin monohydrate and autoxidation products as examples. (author)

Proton Exchange Membrane Fuel Cell Modelling Using Moving Least Squares Technique

Directory of Open Access Journals (Sweden)

Radu Tirnovan

2009-07-01

Full Text Available Proton exchange membrane fuel cell, with low polluting emissions, is a great alternative to replace the traditional electrical power sources for automotive applications or for small stationary consumers. This paper presents a numerical method, for the fuel cell modelling, based on moving least squares (MLS. Experimental data have been used for developing an approximated model of the PEMFC function of the current density, air inlet pressure and operating temperature of the fuel cell. The method can be applied for modelling others fuel cell sub-systems, such as the compressor. The method can be used for off-line or on-line identification of the PEMFC stack.

Cross-lined PEEK proton exchange membranes for fuel cell - Conference Poster

CSIR Research Space (South Africa)

Luo, H

2009-07-01

Full Text Available The low-cost cross-linked Polyetheretherketone (PEEK) proton exchange membranes were prepared via the simple route. The membranes exhibited similar electrochemical properties as compared with commercial Nafion. The membranes were highly proton...

Analysis of proton exchange membrane fuel cell performance with alternate membranes

Energy Technology Data Exchange (ETDEWEB)

Wakizoe, Masanobu; Velev, O A; Srinivasan, S [Texas A and M Univ., College Station, TX (United States). Texas Engineering Experiment Station

1995-02-01

Renewed interest in proton exchange membrane fuel cell technology for space and terrestrial (particularly electric vehicles) was stimulated by the demonstration, in the mid 1980s, of high energy efficiencies and high power densities. One of the most vital components of the PEMFC is the proton conducting membrane. In this paper, an analysis is made of the performances of PEMFCs with Dupont`s Nafion, Dow`s experimental, and Asahi Chemical`s Aciplex-S membranes. Attempts were also made to draw correlations between the PEMFC performances with the three types of membranes and their physico-chemical characteristics. Practically identical levels of performances (energy efficiency, power density, and lifetime) were achieved in PEMFCs with the Dow and the Aciplex-S membranes and these performances were better than in the PEMFCs with the Nafion-115 membrane. The electrode kinetic parameters for oxygen reduction are better for the PEMFCs with the Aciplex-S and Nafion membranes than with the Dow membranes. The PEMFCs with the Aciplex-S and Dow membranes have nearly the same internal resistances which are considerably lower than for the PEMFC with the Nafion membrane. The desired membrane characteristics to obtain high levels of performance are low equivalent weight and high water content. (Author)

On the necessity of taking into account the contribution of multiphoton exchanges into electron-proton deep inelastic scattering

International Nuclear Information System (INIS)

Savrin, V.I.

1979-01-01

The hypothesis that the multiphoton exchanges give a substantial contribution to the electron-proton inclusive scattering is formulated. The hypothesis explains the observed violation of the Bjorken scaling law. As it is shown, the mechanism of such intensification of multiple exchanges may by connected with the properties of the processes of hadron multiproduction in the deep inelastic field. This results in the necessity to calculate the inclusive cross section in all electromagnetic coupling constant orders. This has been done in the framework of the density matrix method. As a result the deep inelastic scattering cross section calculated without application of the perturbation theory reveals a new property of the scaling invariance and leads to the natural relationship of structural functions with electromagnetic proton form-factors on the exclusive threshold

A flexible metal-organic framework with a high density of sulfonic acid sites for proton conduction

Science.gov (United States)

Yang, Fan; Xu, Gang; Dou, Yibo; Wang, Bin; Zhang, Heng; Wu, Hui; Zhou, Wei; Li, Jian-Rong; Chen, Banglin

2017-11-01

The design of stable electrolyte materials with high proton conductivity for use in proton exchange membrane fuel cells remains a challenge. Most of the materials explored have good conductivity at high relative humidity (RH), but significantly decreased conductivity at reduced RH. Here we report a chemically stable and structurally flexible metal-organic framework (MOF), BUT-8(Cr)A, possessing a three-dimensional framework structure with one-dimensional channels, in which high-density sulfonic acid (-SO3H) sites arrange on channel surfaces for proton conduction. We propose that its flexible nature, together with its -SO3H sites, could allow BUT-8(Cr)A to self-adapt its framework under different humid environments to ensure smooth proton conduction pathways mediated by water molecules. Relative to other MOFs, BUT-8(Cr)A not only has a high proton conductivity of 1.27 × 10-1 S cm-1 at 100% RH and 80 °C but also maintains moderately high proton conductivity at a wide range of RH and temperature.

Composite proton exchange membrane based on sulfonated organic nanoparticles

Science.gov (United States)

Pitia, Emmanuel Sokiri

As the world sets its sight into the future, energy remains a great challenge. Proton exchange membrane (PEM) fuel cell is part of the solution to the energy challenge because of its high efficiency and diverse application. The purpose of the PEM is to provide a path for proton transport and to prevent direct mixing of hydrogen and oxygen at the anode and the cathode, respectively. Hence, PEMs must have good proton conductivity, excellent chemical stability, and mechanical durability. The current state-of-the-art PEM is a perfluorosulfonate ionomer, Nafion®. Although Nafion® has many desirable properties, it has high methanol crossover and it is expensive. The objective of this research was to develop a cost effective two-phase, composite PEM wherein a dispersed conductive organic phase preferentially aligned in the transport direction controls proton transport, and a continuous hydrophobic phase provides mechanical durability to the PEM. The hypothesis that was driving this research was that one might expect better dispersion, higher surface to volume ratio and improved proton conductivity of a composite membrane if the dispersed particles were nanometer in size and had high ion exchange capacity (IEC, = [mmol sulfonic acid]/gram of polymer). In view of this, considerable efforts were employed in the synthesis of high IEC organic nanoparticles and fabrication of a composite membrane with controlled microstructure. High IEC, ~ 4.5 meq/g (in acid form, theoretical limit is 5.4 meq/g) nanoparticles were achieved by emulsion copolymerization of a quaternary alkyl ammonium (QAA) neutralized-sulfonated styrene (QAA-SS), styrene, and divinylbenzene (DVB). The effects of varying the counterion of the sulfonated styrene (SS) monomer (alkali metal and QAA cations), SS concentration, and the addition of a crosslinking agent (DVB) on the ability to stabilize the nanoparticles to higher IECs were assessed. The nanoparticles were ion exchanged to acid form. The extent of ion

Development of proton exchange membranes fuel cells with sulfonated HTPB-phenol; Desenvolvimento de membranas polimericas trocadoras de protons utilizando PBLH-fenol

Energy Technology Data Exchange (ETDEWEB)

Ferraz, Fernando A.; Oliveira, Angelo R.S.; Cesar-Oliveira, Maria Aparecida F. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Dept. de Quimica. Lab. de Polimeros Sinteticos], e-mail: ferraz@quimica.ufpr.br; Cantao, Mauricio P. [LACTEC - Instituto de Tecnologia para o Desenvolvimento, Curitiba, PR (Brazil). Centro Politecnico

2007-07-01

Proton exchange membrane fuel cells (PEMFC) have been paid attention as promising candidates for vehicle and portable applications. PEMFC employ proton exchange polymer membrane which serves as an electrolyte between anode and cathode. Nafion{sup R} (DuPont), perfluorosulfonic acid/PTFE copolymer membranes are typically used as the polymer electrolyte in PEMFC due to their good chemical and mechanical properties as well as high proton conductivity. However, high cost of these materials is one of main obstacles for commercialization of PEMFC. Extensive efforts have been devoted to develop alternative polymer electrolyte membranes. Our group have investigated the development of proton exchange membranes fuel cells using sulfonated HTPB-Phenyl ether (HTPB-Phenol), making possible the formation of membranes with sulfonated groups amount of 2,4, 2,5 and 2,8 mmol/g of dry polymer from HTPB-Phenol 80, 98 and 117 respectively. These results mean a bigger values than those of the Nafion{sup R} membranes, that possess an ion exchange capacity of 0,67 up to 1,25 mmol/g of sulfonated groups. (author)

Quantitative description of proton exchange processes between water and endogenous and exogenous agents for WEX, CEST, and APT experiments.

Science.gov (United States)

Zhou, Jinyuan; Wilson, David A; Sun, Phillip Zhe; Klaus, Judith A; Van Zijl, Peter C M

2004-05-01

The proton exchange processes between water and solutes containing exchangeable protons have recently become of interest for monitoring pH effects, detecting cellular mobile proteins and peptides, and enhancing the detection sensitivity of various low-concentration endogenous and exogenous species. In this work, the analytic expressions for water exchange (WEX) filter spectroscopy, chemical exchange-dependent saturation transfer (CEST), and amide proton transfer (APT) experiments are derived by the use of Bloch equations with exchange terms. The effects of the initial states for the system, the difference between a steady state and a saturation state, and the relative contributions of the forward and backward exchange processes are discussed. The theory, in combination with numerical calculations, provides a useful tool for designing experimental schemes and assessing magnetization transfer (MT) processes between water protons and solvent-exchangeable protons. As an example, the case of endogenous amide proton exchange in the rat brain at 4.7 T is analyzed in detail. Copyright 2004 Wiley-Liss, Inc.

Advantages of chemical exchange-sensitive spin-lock (CESL) over chemical exchange saturation transfer (CEST) for hydroxyl- and amine-water proton exchange studies.

Science.gov (United States)

Jin, Tao; Kim, Seong-Gi

2014-11-01

The chemical exchange (CE) rate of endogenous hydroxyl and amine protons with water is often comparable to the difference in their chemical shifts. These intermediate exchange processes have been imaged by the CE saturation transfer (CEST) approach with low-power and long-duration irradiation. However, the sensitivity is not optimal and, more importantly, the signal is contaminated by slow magnetization transfer processes. Here, the properties of CEST signals are compared with those of a CE-sensitive spin-lock (CESL) technique irradiating at the labile proton frequency. First, using a higher power and shorter irradiation in CE-MRI, we obtain: (i) an increased selectivity to faster CE rates via a higher sensitivity to faster CEs and a lower sensitivity to slower CEs and magnetization transfer processes; and (ii) a decreased in vivo asymmetric magnetization transfer contrast measured at ±15 ppm. The sensitivity gain of CESL over CEST is higher for a higher power and shorter irradiation. Unlike CESL, CEST signals oscillate at a very high power and short irradiation. Second, time-dependent CEST and CESL signals are well modeled by analytical solutions of CE-MRI with an asymmetric population approximation, which can be used for quantitative CE-MRI and validated by simulations of Bloch-McConnell equations and phantom experiments. Finally, the in vivo amine-water proton exchange contrast measured at 2.5 ppm with ω1 = 500 Hz is 18% higher in sensitivity for CESL than CEST at 9.4 T. Overall, CESL provides better exchange rate selectivity and sensitivity than CEST; therefore, CESL is more suitable for CE-MRI of intermediate exchange protons. Copyright © 2014 John Wiley & Sons, Ltd.

Local density approximation for exchange in excited-state density functional theory

OpenAIRE

Harbola, Manoj K.; Samal, Prasanjit

2004-01-01

Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate excitation energies.

Leading Twist GPDs and Transverse Spin Densities in a Proton

Science.gov (United States)

Mondal, Chandan; Maji, Tanmay; Chakrabarti, Dipankar; Zhao, Xingbo

2018-05-01

We present a study of both chirally even and odd generalized parton distributions in the leading twist for the quarks in a proton using the light-front wavefunctions of a quark-diquark model predicted by the holographic QCD. For transversely polarized proton, both chiral even and chiral odd GPDs contribute to the spin densities which are related to the GPDs in transverse impact parameter space. Here, we also present a study of the spin densities for transversely polarized quark and proton.

DeVelopment of the high-intensity polarized H- source with proton charge exchange on sodium optically oriented atoms

International Nuclear Information System (INIS)

Zelenskij, A.N.; Kokhanovskij, S.A.

1982-01-01

The results of experimental study on the source of polarized H - ions at polarized electron capture by proton from optically oriented sodium atoms are presented. Circular-polarized dye laser radiation with lamp pumping is used for polarization of highly dense sodium vapors in the pulsed mode. A facility for polarization measurement in the ion source is described. Dependence of the counting rate of metastables for the right and left circular radiation polarization in respect to wave length is presented. The results of measuring the degree of polarization under change of sodium density are revealed. The measurements have disclosed that obtaining of high polarization degree at 20-30% charge exchange effectiveness is possible but large radiation power is required. Use of a dense charge exchange target provides high effectiveness of hte whole polarization process. Yield of polarized H - ions can approach 10 μA/1 mA of the initial proton current

Covalently cross-linked polyetheretherketone proton exchange membrane for DMFC

CSIR Research Space (South Africa)

Luo, H

2009-05-01

Full Text Available -7 cm2/s) and good electrochemical stability. The results suggested that cross-linked polyetheretherketone membrane is particularly promising to be used as proton exchange membrane for the direct methanol fuel cell application....

Water Soluble Polymers as Proton Exchange Membranes for Fuel Cells

Directory of Open Access Journals (Sweden)

Bing-Joe Hwang

2012-03-01

Full Text Available The relentless increase in the demand for useable power from energy-hungry economies continues to drive energy-material related research. Fuel cells, as a future potential power source that provide clean-at-the-point-of-use power offer many advantages such as high efficiency, high energy density, quiet operation, and environmental friendliness. Critical to the operation of the fuel cell is the proton exchange membrane (polymer electrolyte membrane responsible for internal proton transport from the anode to the cathode. PEMs have the following requirements: high protonic conductivity, low electronic conductivity, impermeability to fuel gas or liquid, good mechanical toughness in both the dry and hydrated states, and high oxidative and hydrolytic stability in the actual fuel cell environment. Water soluble polymers represent an immensely diverse class of polymers. In this comprehensive review the initial focus is on those members of this group that have attracted publication interest, principally: chitosan, poly (ethylene glycol, poly (vinyl alcohol, poly (vinylpyrrolidone, poly (2-acrylamido-2-methyl-1-propanesulfonic acid and poly (styrene sulfonic acid. The paper then considers in detail the relationship of structure to functionality in the context of polymer blends and polymer based networks together with the effects of membrane crosslinking on IPN and semi IPN architectures. This is followed by a review of pore-filling and other impregnation approaches. Throughout the paper detailed numerical results are given for comparison to today’s state-of-the-art Nafion® based materials.

A new ion exchange behavior of protonated titanate nanotubes after deprotonation and the study on their morphology and optical properties

International Nuclear Information System (INIS)

Zhang Huibin; Cao Lixin; Liu Wei; Su Ge

2012-01-01

Graphical abstract: The morphological transformation of protonated titanate nanotubes under alkali solution before ion exchange (a) and after ion exchange (b). Highlights: ► A novel ion exchange behavior of protonated titanate nanotubes after deprotonation. ► The exchangeability of protonated titanate nanotubes are not as inert as past reported. ► The tube walls of H 2 Ti 3 O 7 nanotubes is observed to get loosened after ion exchange. ► The paper proves a new and easy way to modify protonated titanate nanotubes. - Abstract: After the deprotonation of protonated titanate nanotubes (H 2 Ti 3 O 7 ), we observed a novel ion exchange behavior on them. In the past literatures, protonated titanate nanotubes prepared via hydrothermal method have been reported with a poor exchangeability which may due to the chemical bonding of interlayer protons to nearby oxygen atoms. However, in this experiment under alkali environment (pH > 10), protonated titanate nanotubes exhibited a vast ion exchange capacity toward [Co(NH 3 ) 6 ] 2+ . This interesting phenomenon is contrary to the past reports which found protonated titanate nanotubes hardly could be ionexchanged by objective cations. This paper proves the deprotonation process on H 2 Ti 3 O 7 nanotubes sufficiently facilitates the diffusion of metal complex cations into protonated titanate nanotubes and significantly changes their ion exchange capacity. As a consequence of cabalt intercalting via ion exchange, the tube wall of H 2 Ti 3 O 7 nanotubes is observed to get loosened. Additionally, the exciton concentrations corresponding to the nanotube surface states are discussed in the paper.

Moving protons with pendant amines: proton mobility in a nickel catalyst for oxidation of hydrogen.

Science.gov (United States)

O'Hagan, Molly; Shaw, Wendy J; Raugei, Simone; Chen, Shentan; Yang, Jenny Y; Kilgore, Uriah J; DuBois, Daniel L; Bullock, R Morris

2011-09-14

Proton transport is ubiquitous in chemical and biological processes, including the reduction of dioxygen to water, the reduction of CO(2) to formate, and the production/oxidation of hydrogen. In this work we describe intramolecular proton transfer between Ni and positioned pendant amines for the hydrogen oxidation electrocatalyst [Ni(P(Cy)(2)N(Bn)(2)H)(2)](2+) (P(Cy)(2)N(Bn)(2) = 1,5-dibenzyl-3,7-dicyclohexyl-1,5-diaza-3,7-diphosphacyclooctane). Rate constants are determined by variable-temperature one-dimensional NMR techniques and two-dimensional EXSY experiments. Computational studies provide insight into the details of the proton movement and energetics of these complexes. Intramolecular proton exchange processes are observed for two of the three experimentally observable isomers of the doubly protonated Ni(0) complex, [Ni(P(Cy)(2)N(Bn)(2)H)(2)](2+), which have N-H bonds but no Ni-H bonds. For these two isomers, with pendant amines positioned endo to the Ni, the rate constants for proton exchange range from 10(4) to 10(5) s(-1) at 25 °C, depending on isomer and solvent. No exchange is observed for protons on pendant amines positioned exo to the Ni. Analysis of the exchange as a function of temperature provides a barrier for proton exchange of ΔG(‡) = 11-12 kcal/mol for both isomers, with little dependence on solvent. Density functional theory calculations and molecular dynamics simulations support the experimental observations, suggesting metal-mediated intramolecular proton transfers between nitrogen atoms, with chair-to-boat isomerizations as the rate-limiting steps. Because of the fast rate of proton movement, this catalyst may be considered a metal center surrounded by a cloud of exchanging protons. The high intramolecular proton mobility provides information directly pertinent to the ability of pendant amines to accelerate proton transfers during catalysis of hydrogen oxidation. These results may also have broader implications for proton movement in

Correlation between morphology, water uptake, and proton conductivity in radiation-grafted proton-exchange membranes

DEFF Research Database (Denmark)

Balog, Sandor; Gasser, Urs; Mortensen, Kell

2010-01-01

An SANS investigation of hydrated proton exchange membranes is presented. Our membranes were synthesized by radiation-induced grafting of ETFE with styrene in the presence of a crosslinker, followed by sulfonation of the styrene. The contrast variation method was used to understand the relationship...

Advantages of Chemical Exchange-Sensitive Spin-Lock (CESL) Over Saturation Transfer (CEST) for Hydroxyl- and Amine-Water Proton Exchange Studies

Science.gov (United States)

Jin, Tao; Kim, Seong-Gi

2014-01-01

The chemical exchange (CE) rate of endogenous hydroxyl and amine protons with water is often comparable to the difference in their chemical shifts. These intermediate exchange (IMEX) processes have been imaged by the CE saturation transfer (CEST) approach with low-power and long-duration irradiation. However, its sensitivity is not optimal, and more importantly, the signal is contaminated by slow magnetization transfer processes. Here, the property of CEST signals is compared to a CE-sensitive spin-locking (CESL) technique irradiating at the labile proton frequency. Firstly, using a higher power and shorter irradiation in CE-MRI yields i) increasing selectivity to faster chemical exchange rates by higher sensitivity to faster exchanges and less sensitivity to slower CE and magnetization transfer processes, and ii) decreasing in vivo asymmetric magnetization transfer contrast measured at ±15 ppm. The sensitivity gain of CESL over CEST is higher for a higher-power and shorter irradiation. Unlike CESL, CEST signals oscillate at a very high power and short irradiation. Secondly, time-dependent CEST and CESL signals are well modeled by analytical solutions of CE-MRI with asymmetric population approximation (CEAPA), which can be used for quantitative CE-MRI, and validated by simulations of Bloch-McConnell equations and phantom experiments. Lastly, in vivo amine-water proton exchange contrast measured at 2.5 ppm with ω1 of 500 Hz is 18% higher in sensitivity for CESL than CEST at 9.4 T. Overall, CESL provides better exchange rate selectivity and sensitivity than CEST; therefore, CESL is more suitable for CE-MRI of IMEX protons. PMID:25199631

Stimulated-healing of proton exchange membrane fuel cell catalyst

NARCIS (Netherlands)

Latsuzbaia, R.; Negro, E.; Koper, G.J.M.

2013-01-01

Platinum nanoparticles, which are used as catalysts in Proton Exchange Membrane Fuel Cells (PEMFC), tend to degrade after long-term operation. We discriminate the following mechanisms of the degradation: poisoning, migration and coalescence, dissolution, and electrochemical Ostwald ripening. There

A review on the effect of proton exchange membranes in microbial fuel cells

Directory of Open Access Journals (Sweden)

Mostafa Rahimnejad

2014-03-01

Full Text Available Microorganisms in microbial fuel cells (MFC liberate electrons while the electron donors are consumed. In the anaerobic anode compartment, substrates such as carbohydrates are utilized and as a result bioelectricity is produced in the MFC. MFCs may be utilized as electricity generators in small devices such as biosensors. MFCs still face practical barriers such as low generated power and current density. Recently, a great deal of attention has been given to MFCs due to their ability to operate at mild conditions and using different biodegradable substrates as fuel. The MFC consists of anode and cathode compartments. Active microorganisms are actively catabolized to carbon sources, therefore generating bioelectricity. The produced electron is transmitted to the anode surface but the generated protons must pass through the proton exchange membrane (PEM in order to reach the cathode compartment. PEM as a key factor affecting electricity generation in MFCs has been investigated here and its importance fully discussed.

Symmetry energy, its density slope, and neutron-proton effective mass splitting at normal density extracted from global nucleon optical potentials

International Nuclear Information System (INIS)

Xu Chang; Li Baoan; Chen Liewen

2010-01-01

Based on the Hugenholtz-Van Hove theorem, it is shown that both the symmetry energy E sym (ρ) and its density slope L(ρ) at normal density ρ 0 are completely determined by the nucleon global optical potentials. The latter can be extracted directly from nucleon-nucleus scatterings, (p,n) charge-exchange reactions, and single-particle energy levels of bound states. Averaging all phenomenological isovector nucleon potentials constrained by world data available in the literature since 1969, the best estimates of E sym (ρ 0 )=31.3 MeV and L(ρ 0 )=52.7 MeV are simultaneously obtained. Moreover, the corresponding neutron-proton effective mass splitting in neutron-rich matter of isospin asymmetry δ is estimated to be (m n * -m p * )/m=0.32δ.

Preparations of an inorganic-framework proton exchange nanochannel membrane

Science.gov (United States)

Yan, X. H.; Jiang, H. R.; Zhao, G.; Zeng, L.; Zhao, T. S.

2016-09-01

In this work, a proton exchange membrane composed of straight and aligned proton conducting nanochannels is developed. Preparation of the membrane involves the surface sol-gel method assisted with a through-hole anodic aluminum oxide (AAO) template to form the framework of the PEM nanochannels. A monomolecular layer (SO3Hsbnd (CH2)3sbnd Sisbnd (OCH3)3) is subsequently added onto the inner surfaces of the nanochannels to shape a proton-conducting pathway. Straight nanochannels exhibit long range order morphology, contributing to a substantial improvement in the proton mobility and subsequently proton conductivity. In addition, the nanochannel size can be altered by changing the surface sol-gel condition, allowing control of the active species/charge carrier selectivity via pore size exclusion. The proton conductivity of the nanochannel membrane is reported as high as 11.3 mS cm-1 at 70 °C with a low activation energy of 0.21 eV (20.4 kJ mol-1). First-principle calculations reveal that the activation energy for proton transfer is impressively low (0.06 eV and 0.07 eV) with the assistance of water molecules.

Carbon Corrosion at Pt/C Interface in Proton Exchange Membrane Fuel Cell Environment

International Nuclear Information System (INIS)

Choi, Min Ho; Beam, Won Jin; Park, Chan Jin

2010-01-01

This study examined the carbon corrosion at Pt/C interface in proton exchange membrane fuel cell environment. The Pt nano particles were electrodeposited on carbon substrate, and then the corrosion behavior of the carbon electrode was examined. The carbon electrodes with Pt nano electrodeposits exhibited the higher oxidation rate and lower oxidation overpotential compared with that of the electrode without Pt. This phenomenon was more active at 75 .deg. C than 25 .deg. C. In addition, the current transients and the corresponding power spectral density (PSD) of the carbon electrodes with Pt nano electrodeposits were much higher than those of the electrode without Pt. The carbon corrosion at Pt/C interface was highly accelerated by Pt nano electrodeposits. Furthermore, the polarization and power density curves of PEMFC showed degradation in the performance due to a deterioration of cathode catalyst material and Pt dissolution

Plasma Density Tapering for Laser Wakefield Acceleration of Electrons and Protons

International Nuclear Information System (INIS)

Ting, A.; Gordon, D.; Kaganovich, D.; Sprangle, P.; Helle, M.; Hafizi, B.

2010-01-01

Extended acceleration in a Laser Wakefield Accelerator can be achieved by tailoring the phase velocity of the accelerating plasma wave, either through profiling of the density of the plasma or direct manipulation of the phase velocity. Laser wakefield acceleration has also reached a maturity that proton acceleration by wakefield could be entertained provided we begin with protons that are substantially relativistic, ∼1 GeV. Several plasma density tapering schemes are discussed. The first scheme is called ''bucket jumping'' where the plasma density is abruptly returned to the original density after a conventional tapering to move the accelerating particles to a neighboring wakefield period (bucket). The second scheme is designed to specifically accelerate low energy protons by generating a nonlinear wakefield in a plasma region with close to critical density. The third scheme creates a periodic variation in the phase velocity by beating two intense laser beams with laser frequency difference equal to the plasma frequency. Discussions and case examples with simulations are presented where substantial acceleration of electrons or protons could be obtained.

Accurate Quantitation of Water-amide Proton Exchange Rates Using the Phase-Modulated CLEAN Chemical EXchange (CLEANEX-PM) Approach with a Fast-HSQC (FHSQC) Detection Scheme

International Nuclear Information System (INIS)

Hwang, Tsang-Lin; Zijl, Peter C.M. van; Mori, Susumu

1998-01-01

Measurement of exchange rates between water and NH protons by magnetization transfer methods is often complicated by artifacts, such as intramolecular NOEs, and/or TOCSY transfer from Cα protons coincident with the water frequency, or exchange-relayed NOEs from fast exchanging hydroxyl or amine protons. By applying the Phase-Modulated CLEAN chemical EXchange (CLEANEX-PM) spin-locking sequence, 135 o (x) 120 o (-x) 110 o (x) 110 o (-x) 120 o (x) 135 o (-x) during the mixing period, these artifacts can be eliminated, revealing an unambiguous water-NH exchange spectrum. In this paper, the CLEANEX-PM mixing scheme is combined with Fast-HSQC (FHSQC) detection and used to obtain accurate chemical exchange rates from the initial slope analysis for a sample of 15N labeled staphylococcal nuclease. The results are compared to rates obtained using Water EXchange filter (WEX) II-FHSQC, and spin-echo-filtered WEX II-FHSQC measurements, and clearly identify the spurious NOE contributions in the exchange system

The role of charge-exchange cross-section for pickup protons and neutrals in the inner heliosheath

Science.gov (United States)

Chalov, S. V.

2018-06-01

The process of deceleration of the solar wind downstream of the termination shock is studied on the basis of a one-dimensional multi-component model. It is assumed that the solar wind consists of thermal protons, electrons and interstellar pickup protons. The protons interact with interstellar hydrogen atoms by charge-exchange. Two cases are considered. In the first one, the charge-exchange cross-section for thermal protons and hydrogen atoms is the same as for pickup protons and atoms. Under this condition, there is a strong dependence of the solar wind velocity on the downstream temperature of pickup protons. When the proton temperature is close to 10 keV, the change in the velocity with the distance from the termination shock is similar to that measured on the Voyager 1 spacecraft: linear velocity decrease is accompanied by an extended transition region with near-zero velocity. However, with a more careful approach to the choice of the charge-exchange cross-section, the situation changes dramatically. The strong dependence of the solar wind speed on the pickup proton temperature disappears and the transition region in the heliosheath disappears as well, at least at reasonable distances from the TS.

Proton Conductivity of Proton Exchange Membrane Synergistically Promoted by Different Functionalized Metal-Organic Frameworks.

Science.gov (United States)

Rao, Zhuang; Tang, Beibei; Wu, Peiyi

2017-07-12

In this study, two functionalized metal-organic frameworks (MOFs), UiO-66-SO 3 H and UiO-66-NH 2 , were synthesized. Then, different composite proton exchange membranes (PEMs) were prepared by single doping and codoping of these two MOFs, respectively. It was found that codoping of these two MOFs with suitable sizes was more conducive to the proton conductivity enhancement of the composite PEM. A synergistic effect between these two MOFs led to the the formation of more consecutive hydration channels in the composite PEM. It further greatly promoted the proton conductivity of the composite PEM. The proton conductivity of the codoped PEM reached up to 0.256 S/cm under 90 °C, 95% RH, which was ∼1.17 times higher than that of the recast Nafion (0.118 S/cm). Besides, the methanol permeability of the codoped PEM was prominently decreased owing to the methanol trapping effect of the pores of these two MOFs. Meanwhile, the high water and thermal stabilities of these two MOFs were beneficial to the high proton conductivity stability of the codoped PEM under high humidity and high temperature. The proton conductivity of the codoped PEM was almost unchanged throughout 3000 min of testing under 90 °C, 95% RH. This work provides a valuable reference for designing different functionalized MOFs to synergistically promote the proton conductivities of PEMs.

On the importance of exchangeable NH protons in creatine for the magnetic coupling of creatine methyl protons in skeletal muscle

NARCIS (Netherlands)

Kruiskamp, M.J.; Nicolaij, K.

2001-01-01

The methyl protons of creatine in skeletal muscle exhibit a strong off-resonance magnetization transfer effect. The mechanism of this process is unknown. We previously hypothesized that the exchangeable amide/amino protons of creatine might be involved. To test this the characteristics of the

Resonance charge exchange between excited states in slow proton-hydrogen collisions

International Nuclear Information System (INIS)

Tolstikhina, Inga Yu.; Kato, Daiji

2010-01-01

The theory of resonance charge exchange in slow collisions of a proton with a hydrogen atom in the excited state is developed. It extends the Firsov-Demkov theory of resonance charge exchange to the case of degenerate initial and final states. The theory is illustrated by semiclassical and quantum calculations of charge exchange cross sections between states with n=2 in parabolic and spherical coordinates. The results are compared with existing close-coupling calculations.

Neutron radiography characterization of an operating proton exchange membrane fuel cell with localized current distribution measurements

International Nuclear Information System (INIS)

Gagliardo, J.J.; Owejan, J.P.; Trabold, T.A.; Tighe, T.W.

2009-01-01

Neutron radiography has proven to be a powerful tool to study and understand the effects of liquid water in an operating fuel cell. In the present work, this experimental method is coupled with locally resolved current and ohmic resistance measurements, giving additional insight into water management and fuel cell performance under a variety of conditions. The effects of varying the inlet humidification level and the current density of the 50 cm 2 cell are studied by simultaneously monitoring electrochemical performance with a 10x10 matrix of current sensors, and liquid water volumes are measured using the National Institute of Standards and Technology (NIST) neutron imaging facility. A counter flow, straight channel proton exchange membrane (PEM) fuel cell is used to demonstrate localized performance loss corresponds to water-filled channels that impede gas transport to the catalyst layer, thereby creating an area that has low current density. Furthermore, certain operating conditions causing excess water accumulation in the channels can result in localized proton resistance increase, a result that can only be accurately observed with combined radiography and distributed electrochemical measurements.

Investigation of gas flow characteristics in proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Kwac, Lee Ku; Kim, Hong Gun

2008-01-01

An investigation of electrochemical behavior of PEMFC (proton exchange membrane fuel cell) is performed by using a single-phase two-dimensional finite element analysis. Equations of current balance, mass balance, and momentum balance are implemented to simulate the behavior of PEMFC. The analysis results for the co-flow and counterflow mode of gas flow direction are examined in detail in order to compare how the gas flow direction affects quantitatively. The characteristics of internal properties, such as gas velocity distribution, mass fraction of the reactants, fraction of water and current density distribution in PEMFC are illustrated in the electrode and GDL (gas diffusion layer). It is found that the dry reactant gases can be well internally humidified and maintain high performance in the case of the counter-flow mode without external humidification while it is not advantageous for highly humidified or saturated reactant gases. It is also found that the co-flow mode improves the current density distribution with humidified normal condition compared to the counter-flow mode

Proton exchange membrane fuel cells modeling

CERN Document Server

Gao, Fengge; Miraoui, Abdellatif

2013-01-01

The fuel cell is a potential candidate for energy storage and conversion in our future energy mix. It is able to directly convert the chemical energy stored in fuel (e.g. hydrogen) into electricity, without undergoing different intermediary conversion steps. In the field of mobile and stationary applications, it is considered to be one of the future energy solutions.Among the different fuel cell types, the proton exchange membrane (PEM) fuel cell has shown great potential in mobile applications, due to its low operating temperature, solid-state electrolyte and compactness.This book pre

Preliminary Study of the Use of Sulphonated Polyether Ether Ketone (SPEEK as Proton Exchange Membrane for Microbial Fuel Cell (MFC

Directory of Open Access Journals (Sweden)

Dani Permana

2018-02-01

Full Text Available Sulfonated polyether ether ketone (SPEEK was utilized as a proton exchange membrane (PEM in Microbial Fuel Cell (MFC. The SPEEK performance in producing electricity had been observed in MFC using wastewater and glucose as substrates. The MFC with catering and tofu wastewater produced maximum power density about 0.31 mW/m2 and 0.03 mW/m2, respectively, lower that of MFC with tapioca average power density of 39.4 W/m2 over 48 h. The power density boosted because of the presence of Saccharomyces cerevisiae as inoculum. The study using of S. cerevisiae and Acetobacter acetii, separately, were also conducted in with glucose as substrate. The MFC produced an average power densities were 7.3 and 6.4 mW/m2 for S. cerevisiae and A. acetii, respectively. The results of this study indicated that SPEEK membrane has the potential usage in MFCs and can substitute the commercial membrane, Nafion. Article History: Received: Juni 14th 2017; Received: Sept 25th 2017; Accepted: December 16th 2017; Available online How to Cite This Article: Putra, H.E., Permana, D and Djaenudin, D. (2018 Preliminary Study of the Use of Sulfonated Polyether Ether Ketone (SPEEK as Proton Exchange Membrane for Microbial Fuel Cell (MFC. International Journal of Renewable Energy Development, 7(1, 7-12. https://doi.org/10.14710/ijred.7.1.7-12

Pt nanoparticle-reduced graphene oxide nanohybrid for proton exchange membrane fuel cells.

Science.gov (United States)

Park, Dae-Hwan; Jeon, Yukwon; Ok, Jinhee; Park, Jooil; Yoon, Seong-Ho; Choy, Jin-Ho; Shul, Yong-Gun

2012-07-01

A platinum nanoparticle-reduced graphene oxide (Pt-RGO) nanohybrid for proton exchange membrane fuel cell (PEMFC) application was successfully prepared. The Pt nanoparticles (Pt NPs) were deposited onto chemically converted graphene nanosheets via ethylene glycol (EG) reduction. According to the powder X-ray diffraction (XRD) pattern and transmission electron microscopy (TEM) analysis, the face-centered cubic Pt NPs (3-5 nm in diameter) were homogeneously dispersed on the RGO nanosheets. The electrochemically active surface area and PEMFC power density of the Pt-RGO nanohybrid were determined to be 33.26 m2/g and 480 mW/cm2 (maximum values), respectively, at 75 degrees C and at a relative humidity (RH) of 100% in a single-cell test experiment.

Hydrogen/deuterium exchange of multiply-protonated cytochrome c ions

International Nuclear Information System (INIS)

Wood, T.D.; Guan, Ziqiang; O'Connor, P.B.

1995-01-01

Low resolution measurements show gaseous multiply-protonated cytochrome c ions undergo hydrogen/deuterium (H/D) exchange with pseudo first-order kinetics at three distinct exchange levels, suggesting the co-existence of gaseous protein conformations. Although exchange levels first increase with increasing charge values, they decrease at the highest charge values, consistent with solution-phase behavior of cytochrome c, where the native structure unfolds with decreasing pH until folding into a compact A-state at lowest pH. High resolution measurements indicate the presence of at least six H/D exchange levels. Infrared (IR) laser heating and fast collisions via quadrupolar excitation (QE) increase H/D exchange levels (unfolding) while charge-stripping ions to lower charge values can increase or decrease H/D exchange levels (unfolding or folding). Wolynes has suggested studying proteins in vacuo could play an important role in delineating the contributions various forces play in the protein folding process, provided appropriate comparisons can be made between gas-phase and solution-phase structures

Two-photon exchange corrections in elastic lepton-proton scattering

Energy Technology Data Exchange (ETDEWEB)

Tomalak, Oleksandr; Vanderhaeghen, Marc [Johannes Gutenberg Universitaet Mainz (Germany)

2015-07-01

The measured value of the proton charge radius from the Lamb shift of energy levels in muonic hydrogen is in strong contradiction, by 7-8 standard deviations, with the value obtained from electronic hydrogen spectroscopy and the value extracted from unpolarized electron-proton scattering data. The dominant unaccounted higher order contribution in scattering experiments corresponds to the two photon exchange (TPE) diagram. The elastic contribution to the TPE correction was studied with the fixed momentum transfer dispersion relations and compared to the hadronic model with off-shell photon-nucleon vertices. A dispersion relation formalism with one subtraction was proposed. Theoretical predictions of the TPE elastic contribution to the unpolarized elastic electron-proton scattering and polarization transfer observables in the low momentum transfer region were made. The TPE formalism was generalized to the case of massive leptons and the elastic contribution was evaluated for the kinematics of upcoming muon-proton scattering experiment (MUSE).

Double cross-linked polyetheretherketone proton exchange membrane for fuel cell

CSIR Research Space (South Africa)

Luo, H

2012-04-01

Full Text Available and separating the fuel from oxidant. A polyperfluorosulfonic acid ionomer Nafion? (developed by Dupont) is the mostly used proton exchange membrane in PEMFCs, because of its high proton conductivity and excellent chemical stability [3, 4]. However, the high...-Methyl-2-pyrrolidinone. After the solution was homogenized by stirring, the polymer solution was cast on a glass Petri dish. The solvent was then removed in a vacuum oven at 130 ?C. The membrane was peeled off from the Petri dish. Thereafter...

An Investigation of Proton Conductivity of Vinyltriazole-Grafted PVDF Proton Exchange Membranes Prepared via Photoinduced Grafting

OpenAIRE

Sezgin, Sinan; Sinirlioglu, Deniz; Muftuoglu, Ali Ekrem; Bozkurt, Ayhan

2014-01-01

Proton exchange membrane fuel cells (PEMFCs) are considered to be a promising technology for clean and efficient power generation in the twenty-first century. In this study, high performance of poly(vinylidene fluoride) (PVDF) and proton conductivity of poly(1-vinyl-1,2,4-triazole) (PVTri) were combined in a graft copolymer, PVDF-g-PVTri, by the polymerization of 1-vinyl-1,2,4-triazole on a PVDF based matrix under UV light in one step. The polymers were doped with triflic acid (TA) at differe...

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

Science.gov (United States)

Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

2018-04-05

The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

Cross sections and rate coefficients for charge exchange reactions of protons with hydrocarbon molecules

International Nuclear Information System (INIS)

Janev, R.K.; Kato, T.; Wang, J.G.

2001-05-01

The available experimental and theoretical cross section data on charge exchange processes in collisions of protons with hydrocarbon molecules have been collected and critically assessed. Using well established scaling relationships for the charge exchange cross sections at low and high collision energies, as well as the known rate coefficients for these reactions in the thermal energy region, a complete cross section database is constructed for proton-C x H y charge exchange reactions from thermal energies up to several hundreds keV for all C x H y molecules with x=1, 2, 3 and 1 ≤ y ≤ 2x + 2. Rate coefficients for these charge exchange reactions have also been calculated in the temperature range from 0.1 eV to 20 keV. (author)

Effects of stereochemistry on the rates of hydrogen--deuterium exchange of protons α to the nitrosamino group

International Nuclear Information System (INIS)

Fraser, R.R.; Ng, L.K.

1976-01-01

Measurement of the rates of exchange of four benzylic protons of rigid dibenzazepine were made in tert-butyl alcohol-O-d containing potassium tert-butoxide at several concentrations. Each pseudoaxial proton exchanged 100-fold faster than its geminal partner (pseudoequatorial), likely as a result of a stereoelectronic effect. Each syn proton exchanged 1000-fold faster than the anti proton in the same biaryl environment. The lack of any significant effect of added crown either on the rate of exchange of either a syn or an antiproton indicates lack of involvement of the counterion. A suggested explanation for the unusual preference for syn exchange in this work is based on the symmetry properties of the anionic intermediate. This intermediate, like butadiene dianion, has an attractive interaction between the terminal atoms of the four-atom π system in the highest occupied molecular orbital (HOMO). This explanation is similar to that of Epiotis and co-workers, which accounts for the well-established preferential stability of cis over trans dihalo and dialkoxy ethylenes

Isotopically decoupled vibrational spectra and proton exchange rates for crystalline NH3 and ammonia hydrate

Science.gov (United States)

Thornton, Cynthia; Khatkale, M. S.; Devlin, J. Paul

1981-12-01

Codeposits of NH3 with ND3 or D2O have been prepared at liquid nitrogen temperatures in the absence of proton exchange. Vibrational data for the anhydrous cubic crystalline ammonia, containing isolated NH3 or ND3, confirm that, relative to water ice, intermolecular coupling in ammonia ice exerts a relatively minor influence on the infrared and Raman spectra. Nevertheless, sizeable decoupling shifts, particularly for ν1, have been observed and attributed to a combination of factors including correlation field and Fermi resonance effects. The Raman polarization data has also affirmed long standing assignments of ν1 and ν3 for ammonia ice. Warming of the ammonia thin films resulted in limited isotopic scrambling at 130 K, apparently possible only through the agency of trace concentrations of water. The vibrational coupling pattern for the resultant NHD2 and NH2D molecules suggest that proton (deuteron) migration away from the exchange centers is impossible at temperatures up to 150 K. By contrast, isotopic scrambling was rapid and complete at 140 K for amorphous ammonia hydrate films (˜35% NH3, ˜65% D2O) which were also prepared without exchange at ˜90 K. The proton (deuteron) exchange rate is much greater for the amorphous ammonia hydrate at 140 K than for pure water ice. Such exchange requires both ion-pair defect formation and proton mobility. Since the NH3 suppresses the H3O+ concentration via formation of NH+4, a suppression the likes of which has been shown to stop proton exchange in water ice, the evidence strongly suggests that NH4+ in ammonia, like H3O+ in water, is an effective proton transfer agent, probably acting through a tunneling mechanism (i.e., H3N+-HṡṡṡNH3→H3NṡṡṡH-N+H3 etc.) to render the proton mobile in the ammonia hydrate. This mobility combined with the greater NH4+ concentration, relative to the H3O+ concentration in H2O ice Ic, results in isotopic scrambling at the reduced temperature.

Novel high-performance nanocomposite proton exchange membranes based on poly (ether sulfone)

Energy Technology Data Exchange (ETDEWEB)

Hasani-Sadrabadi, Mohammad Mahdi [Polymer Engineering Department, Amirkabir University of Technology, Tehran (Iran); Biomedical Engineering Department, Amirkabir University of Technology, Tehran (Iran); Dashtimoghadam, Erfan; Ghaffarian, Seyed Reza [Polymer Engineering Department, Amirkabir University of Technology, Tehran (Iran); Hasani Sadrabadi, Mohammad Hossein [Faculty of Social and Economics Science, Alzahra University, Tehran (Iran); Heidari, Mahdi [Graduate School of Management and Economics, Sharif University of Technology, Tehran (Iran); Moaddel, Homayoun [Department of Materials Science and Engineering, University of California, Los Angeles, CA (United States)

2010-01-15

In the present research, proton exchange membranes based on partially sulfonated poly (ether sulfone) (S-PES) with various degrees of sulfonation were synthesized. It was found that the increasing of sulfonation degree up to 40% results in the enhancement of water uptake, ion exchange capacity and proton conductivity properties of the prepared membranes to 28.1%, 1.59 meq g{sup -1}, and 0.145 S cm{sup -1}, respectively. Afterwards, nanocomposite membranes based on S-PES (at the predetermined optimum sulfonation degree) containing various loading weights of organically treated montmorillonite (OMMT) were prepared via the solution intercalation technique. X-ray diffraction patterns revealed the exfoliated structure of OMMT in the macromolecular matrices. The S-PES nanocomposite membrane with 3.0 wt% of OMMT content showed the maximum selectivity parameter of about 520,000 S s cm{sup -3} which is related to the high conductivity of 0.051 S cm{sup -1} and low methanol permeability of 9.8 x 10{sup -8} cm{sup 2} s{sup -1}. Furthermore, single cell DMFC fuel cell performance test with 4 molar methanol concentration showed a high power density (131 mW cm{sup -2}) of the nanocomposite membrane at the optimum composition (40% of sulfonation and 3.0 wt% of OMMT loading) compared to the Nafion {sup registered} 117 membrane (114 mW cm{sup -2}). Manufactured nanocomposite membranes thanks to their high selectivity, ease of preparation and low cost could be suggested as the ideal candidate for the direct methanol fuel cell applications. (author)

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

Science.gov (United States)

Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

2017-12-01

The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

Local density approximations for relativistic exchange energies

International Nuclear Information System (INIS)

MacDonald, A.H.

1986-01-01

The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

Advanced proton-exchange materials for energy efficient fuel cells.

Energy Technology Data Exchange (ETDEWEB)

Fujimoto, Cy H.; Grest, Gary Stephen; Hickner, Michael A.; Cornelius, Christopher James; Staiger, Chad Lynn; Hibbs, Michael R.

2005-12-01

The ''Advanced Proton-Exchange Materials for Energy Efficient Fuel Cells'' Laboratory Directed Research and Development (LDRD) project began in October 2002 and ended in September 2005. This LDRD was funded by the Energy Efficiency and Renewable Energy strategic business unit. The purpose of this LDRD was to initiate the fundamental research necessary for the development of a novel proton-exchange membranes (PEM) to overcome the material and performance limitations of the ''state of the art'' Nafion that is used in both hydrogen and methanol fuel cells. An atomistic modeling effort was added to this LDRD in order to establish a frame work between predicted morphology and observed PEM morphology in order to relate it to fuel cell performance. Significant progress was made in the area of PEM material design, development, and demonstration during this LDRD. A fundamental understanding involving the role of the structure of the PEM material as a function of sulfonic acid content, polymer topology, chemical composition, molecular weight, and electrode electrolyte ink development was demonstrated during this LDRD. PEM materials based upon random and block polyimides, polybenzimidazoles, and polyphenylenes were created and evaluated for improvements in proton conductivity, reduced swelling, reduced O{sub 2} and H{sub 2} permeability, and increased thermal stability. Results from this work reveal that the family of polyphenylenes potentially solves several technical challenges associated with obtaining a high temperature PEM membrane. Fuel cell relevant properties such as high proton conductivity (>120 mS/cm), good thermal stability, and mechanical robustness were demonstrated during this LDRD. This report summarizes the technical accomplishments and results of this LDRD.

CFD simulation of fuel cell proton exchange membrane multichannel

International Nuclear Information System (INIS)

Argota, Raúl; García, Lázaro; Torre, Raciel de la; González, Daniel

2015-01-01

Hydrogen has several applications that make the strongest candidate for implementation as an energy carrier in the future sustainable scenario. Current hydrogen production is based on fossil fuels that have a high contribution to air pollution. The imminent depletion of fossil fuels and high emissions of greenhouse gases that cause consumption has brought the world to consider energy scenarios that are more environmentally friendly and yet profitable. The use of hydrogen as an energy carrier generally occurs with good application prospects. Fuel cells have attracted great interest for its application mainly in the transport sector. The fuel cell PEM proton exchange membrane which convert chemical energy stored in hydrogen into electrical energy directly and efficiently, with water as a byproduct, have the ability to reduce emissions and dependence on fossil fuels. A model for multiple cell PEM five channels using the ANSYS software CFD occurs. Performance analysis and optimization of the thermodynamic and geometric parameters of the fuel cell is performed. It was analyzed the overall electrical performance and assessed performance by local current density, flow and temperatures. (full text)

Proton density-weighted MR imaging of the knee: fat suppression versus without fat suppression

Energy Technology Data Exchange (ETDEWEB)

Lee, So-Yeon; Kim, Sun Ki [Catholic University of Korea, Department of Radiology, Seoul St. Mary' s Hospital, Seoul (Korea, Republic of); Jee, Won-Hee [Catholic University of Korea, Department of Radiology, Seoul St. Mary' s Hospital, Seoul (Korea, Republic of); Catholic University of Korea, Diagnostic Radiology, Seoul St. Mary' s Hospital, School of Medicine, Seoul (Korea, Republic of); Kim, Jung-Man [Catholic University of Korea, Department of Orthopedic Surgery, Seoul St. Mary' s Hospital, Seoul (Korea, Republic of)

2011-02-15

To prospectively evaluate the diagnostic accuracy of proton density-weighted imaging with and without fat suppression for detecting meniscal tears. The study involved 48 patients who underwent arthroscopy less than 3 months after proton density-weighted imaging with and without fat suppression. Sagittal images were independently reviewed by two radiologists for the presence of meniscal tears. Medial and lateral menisci were separately analyzed in terms of anterior horn, body, and posterior horn. Interobserver agreement was assessed using {kappa} coefficients. The McNemar test was used to determine any differences between the two methods in terms of sensitivity and specificity. Arthroscopy findings were used as the diagnostic reference standard. Arthroscopy revealed 71 tears involving 85 meniscal segments: 34 medial meniscal segments and 51 lateral meniscal segments. The sensitivity, specificity, and accuracy of each radiologist were 95% (81/85), 92% (186/203), and 93% (267/288), and 93% (79/85), 93% (189/203), and 93% (268/288) when using fat-suppressed proton density-weighted imaging, and 91% (77/85), 93% (189/203), and 92% (266/288), and 91% (77/85), 93% (188/203), and 92% (265/288) when using proton density-weighted imaging without fat suppression, respectively. Interobserver agreement for meniscal tears was very high with proton-weighted imaging with ({kappa} = 0.87) or without ({kappa} = 0.86) fat suppression. There were no significant differences for detection of medial meniscal tears when using proton density-weighted imaging with or without fat suppression for both readers (p > 0.05). Fat-suppressed proton density-weighted imaging can replace proton density-weighted imaging without fat suppression for the detection of meniscal tears. (orig.)

Proton density-weighted MR imaging of the knee: fat suppression versus without fat suppression

International Nuclear Information System (INIS)

Lee, So-Yeon; Kim, Sun Ki; Jee, Won-Hee; Kim, Jung-Man

2011-01-01

To prospectively evaluate the diagnostic accuracy of proton density-weighted imaging with and without fat suppression for detecting meniscal tears. The study involved 48 patients who underwent arthroscopy less than 3 months after proton density-weighted imaging with and without fat suppression. Sagittal images were independently reviewed by two radiologists for the presence of meniscal tears. Medial and lateral menisci were separately analyzed in terms of anterior horn, body, and posterior horn. Interobserver agreement was assessed using κ coefficients. The McNemar test was used to determine any differences between the two methods in terms of sensitivity and specificity. Arthroscopy findings were used as the diagnostic reference standard. Arthroscopy revealed 71 tears involving 85 meniscal segments: 34 medial meniscal segments and 51 lateral meniscal segments. The sensitivity, specificity, and accuracy of each radiologist were 95% (81/85), 92% (186/203), and 93% (267/288), and 93% (79/85), 93% (189/203), and 93% (268/288) when using fat-suppressed proton density-weighted imaging, and 91% (77/85), 93% (189/203), and 92% (266/288), and 91% (77/85), 93% (188/203), and 92% (265/288) when using proton density-weighted imaging without fat suppression, respectively. Interobserver agreement for meniscal tears was very high with proton-weighted imaging with (κ = 0.87) or without (κ = 0.86) fat suppression. There were no significant differences for detection of medial meniscal tears when using proton density-weighted imaging with or without fat suppression for both readers (p > 0.05). Fat-suppressed proton density-weighted imaging can replace proton density-weighted imaging without fat suppression for the detection of meniscal tears. (orig.)

Cross sections and rate coefficients for charge exchange reactions of protons with hydrocarbon molecules

Energy Technology Data Exchange (ETDEWEB)

Janev, R.K.; Kato, T. [National Inst. for Fusion Science, Toki, Gifu (Japan); Wang, J.G. [Department of Physics and Astronomy, University of Georgia, Athens (United States)

2001-05-01

The available experimental and theoretical cross section data on charge exchange processes in collisions of protons with hydrocarbon molecules have been collected and critically assessed. Using well established scaling relationships for the charge exchange cross sections at low and high collision energies, as well as the known rate coefficients for these reactions in the thermal energy region, a complete cross section database is constructed for proton-C{sub x}H{sub y} charge exchange reactions from thermal energies up to several hundreds keV for all C{sub x}H{sub y} molecules with x=1, 2, 3 and 1 {<=} y {<=} 2x + 2. Rate coefficients for these charge exchange reactions have also been calculated in the temperature range from 0.1 eV to 20 keV. (author)

New load cycling strategy for enhanced durability of high temperature proton exchange membrane fuel cell

DEFF Research Database (Denmark)

Thomas, Sobi; Jeppesen, Christian; Steenberg, Thomas

2017-01-01

The objective of this paper is to develop a new operational strategy to increase the lifetime of a high temperature proton exchange membrane (HT-PEMFCs) fuel cell system by using load cycling patterns to reduce the phosphoric acid loss from the fuel cell. Four single cells were operated under.......8 Acm-2 for the higher end, were selected for the load cycling operation. The relaxation time, which is the period of time spent at low current density operation, is varied to understand how the performance over prolonged period behaves. The duration of the high current density operation is selected...... based on the relaxation time in order to have the same average current density of (0.55 Acm-2 ) for all the cells. Cell 5, with a relaxation time of 2 min performs best and shows lower degradation rate of 36 μVh-1 compared to other load cycling cells with smaller relaxation times. The cell operated...

CAPSTONE SENIOR DESIGN - SUPRAMOLECULAR PROTON EXCHANGE MEMBRANES FOR FUEL CELLS

Science.gov (United States)

In order to assume a leading role in the burgeoning hydrogen economy, new infrastructure will be required for fuel cell manufacturing and R&D capabilities. The objective of this proposal is the development of a new generation of advanced proton exchange membrane (PEM) technol...

A New Hybrid Proton-Exchange-Membrane Fuel Cells-Battery Power System with Efficiencies Considered

Science.gov (United States)

Chao, Chung-Hsing; Shieh, Jenn-Jong

Hybrid systems, based on lead-acid or lithium-ion batteries and proton-exchange-membrane fuel cells (PEMFCs), give the possibility of combining the benefit of both technologies. The merits of high energy density and power density for different applications are discussed in this paper in recognition of the practical realization of such hybrid power systems. Furthermore, experimental data for such a hybrid system is described and the results are shown and discussed. The results show that the combination of lead-acid batteries or lithium-ion batteries and PEMFCs shows advantages in cases of applications with high peak power requirements, such as electric scooters and applications where the fuel cell (FC) is used as an auxiliary power-supply to recharge the battery. The high efficiency of FCs operating with a partial load results in a good fuel economy for the purpose of recharging batteries within a FC system.

Quantitative chemical exchange saturation transfer (qCEST) MRI--RF spillover effect-corrected omega plot for simultaneous determination of labile proton fraction ratio and exchange rate.

Science.gov (United States)

Sun, Phillip Zhe; Wang, Yu; Dai, ZhuoZhi; Xiao, Gang; Wu, Renhua

2014-01-01

Chemical exchange saturation transfer (CEST) MRI is sensitive to dilute proteins and peptides as well as microenvironmental properties. However, the complexity of the CEST MRI effect, which varies with the labile proton content, exchange rate and experimental conditions, underscores the need for developing quantitative CEST (qCEST) analysis. Towards this goal, it has been shown that omega plot is capable of quantifying paramagnetic CEST MRI. However, the use of the omega plot is somewhat limited for diamagnetic CEST (DIACEST) MRI because it is more susceptible to direct radio frequency (RF) saturation (spillover) owing to the relatively small chemical shift. Recently, it has been found that, for dilute DIACEST agents that undergo slow to intermediate chemical exchange, the spillover effect varies little with the labile proton ratio and exchange rate. Therefore, we postulated that the omega plot analysis can be improved if RF spillover effect could be estimated and taken into account. Specifically, simulation showed that both labile proton ratio and exchange rate derived using the spillover effect-corrected omega plot were in good agreement with simulated values. In addition, the modified omega plot was confirmed experimentally, and we showed that the derived labile proton ratio increased linearly with creatine concentration (p plot for quantitative analysis of DIACEST MRI. Copyright © 2014 John Wiley & Sons, Ltd.

Application of Proton Exchange Membrane Fuel Cell for Lift Trucks

DEFF Research Database (Denmark)

Hosseinzadeh, Elham; Rokni, Masoud

2011-01-01

In this study a general PEMFC (Proton Exchange Membrane Fuel Cell) model has been developed to take into account the effect of pressure losses, water crossovers, humidity aspects and voltage over potentials in the cells. The model is zero dimensional and it is assumed to be steady state. The effect...

Model-based fault detection for proton exchange membrane fuel cell ...

African Journals Online (AJOL)

In this paper, an intelligent model-based fault detection (FD) is developed for proton exchange membrane fuel cell (PEMFC) dynamic systems using an independent radial basis function (RBF) networks. The novelty is that this RBF networks is used to model the PEMFC dynamic systems and residuals are generated based ...

New insights into proton surface mobility processes in PEMFC catalysts using isotopic exchange methods.

Science.gov (United States)

Ferreira-Aparicio, Paloma

2009-09-01

The surface chemistry and the adsorption/desorption/exchange behavior of a proton-exchange membrane fuel cell catalyst are analyzed as a case study for the development of tailor-made support materials of enhanced performance and stability. By using H2, D2, and CO as probe molecules, the relevance of some surface functional groups of the catalyst support on several diffusion processes taking place during the adsorption is shown. Sulfonic groups associated with the vulcanized carbon black surface have been detected by means of spectroscopic techniques (X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy) and by analysis of the desorbed products during temperature-programmed desorption tests by mass spectrometry. Such hydrophilic species have been observed to favor proton surface mobility and exchange with Pt-adsorbed deuterium even in the presence of adsorbed CO. This behavior is relevant both for the proper characterization of these kinds of catalysts using adsorption probes and for the design of new surface-modified carbon supports, enabling alternative proton-transfer pathways throughout the catalytic layers toward the membrane.

Presolvated Electron Reaction with Methylacetoacetate: Electron Localization, Proton-Deuteron Exchange, and H-atom Abstraction

Science.gov (United States)

Petrovici, Alex; Adhikary, Amitava; Kumar, Anil; Sevilla, Michael D.

2015-01-01

Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methylacetoacetate (MAA, CH3-CO-CH2-CO-OCH3) at 77 K and subsequent reactions of the anion radical (CH3-CO•−-CH2-CO-OCH3) in the temperature range (77 to ca. 170 K) have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR) spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•)OH-CH2-CO-OCH3. The ESR spectrum of CH3-C(•)OH-CH2-CO-OCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•)OH-CH2-CO-OCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylen protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K), CH3-C(•)OH-CH2-CO-OCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-CO-OCH3. Theoretical calculations using density functional theory (DFT) support the radical assignments. PMID:25255751

Preparation of the proton exchange membranes for fuel cell under pre-irradiation induced grafting method

International Nuclear Information System (INIS)

Li Jingye; Muto, F.; Matsuura, A.; Kakiji, T.; Miura, T.; Oshima, A.; Washio, M.; Katsumura, Y.

2006-01-01

Proton exchange membranes (PEMs) were prepared via pre-irradiation induced grafting of styrene or styrene/divinylbenzene (S/DVB) into the crosslinked polytetrafluoroethylene (RX-PTFE) films with thickness around 10 m and then sulfonated by chlorosulfonic acid. The membrane electrode assembles (MEAs) based on these PEMs with ion exchange capacity (IEC) values around 2meq/g were prepared by hot-press with Nafion dispersion coated on the surfaces of the membranes and electrodes. And the MEA based on the Nafion 112 membrane was also prepared under same procedure as a comparison. The performances of the MEAs in single fuel cell were tested under different working temperatures and humidification conditions. The performance of the synthesized PEMs showed better results than that of Nafion 112 membrane under low humidification at 80 degree C. The electrochemical impedance spectra (EIS) were taken with the direct current density of 0.5A/cm 2 and the resulted curves in Nyqvist representation obeyed the half circle pattern. (authors)

Ionic liquids in proton exchange membrane fuel cells: Efficient systems for energy generation

Energy Technology Data Exchange (ETDEWEB)

Padilha, Janine C.; Basso, Juliana; da Trindade, Leticia G.; Martini, Emilse M.A.; de Souza, Michele O.; de Souza, Roberto F. [Institute of Chemistry, UFRGS, Av. Bento Goncalves 9500, Porto Alegre 91501-970, P.O. Box 15003 (Brazil)

2010-10-01

Proton exchange membrane fuel cells (PEMFCs) are used in portable devices to generate electrical energy; however, the efficiency of the PEMFC is currently only 40%. This study demonstrates that the efficiency of a PEMFC can be increased to 61% when 1-butyl-3-methylimidazolium tetrafluoroborate (BMI.BF{sub 4}) ionic liquid (IL) is used together with the membrane electrode assembly (MEA). The results for ionic liquids (ILs) 1-butyl-3-methylimidazolium chloride (BMI.Cl) and 1-butyl-3-methylimidazolium tetrafluoroborate (BMI.BF{sub 4}) in aqueous solutions are better than those obtained with pure water. The current and the power densities with IL are at least 50 times higher than those obtained for the PEMFC wetted with pure water. This increase in PEMFC performance can greatly facilitate the use of renewable energy sources. (author)

Presolvated Electron Reactions with Methyl Acetoacetate: Electron Localization, Proton-Deuteron Exchange, and H-Atom Abstraction

Directory of Open Access Journals (Sweden)

Alex Petrovici

2014-09-01

Full Text Available Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methyl acetoacetate (MAA, CH3-CO-CH2-COOCH3 at 77 K and subsequent reactions of the anion radical (CH3-CO•−-CH2-COOCH3 in the 77 to ca. 170 K temperature range have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•OH-CH2-COOCH3. The ESR spectrum of CH3-C(•OH-CH2-COOCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•OH-CH2-COOCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylene protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K, CH3-C(•OH-CH2-COOCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-COOCH3. Theoretical calculations using density functional theory (DFT support the radical assignments.

Presolvated electron reactions with methyl acetoacetate: electron localization, proton-deuteron exchange, and H-atom abstraction.

Science.gov (United States)

Petrovici, Alex; Adhikary, Amitava; Kumar, Anil; Sevilla, Michael D

2014-09-01

Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methyl acetoacetate (MAA, CH3-CO-CH2-COOCH3) at 77 K and subsequent reactions of the anion radical (CH3-CO•--CH2-COOCH3) in the 77 to ca. 170 K temperature range have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR) spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•)OH-CH2-COOCH3. The ESR spectrum of CH3-C(•)OH-CH2-COOCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•)OH-CH2-COOCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylene protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K), CH3-C(•)OH-CH2-COOCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-COOCH3. Theoretical calculations using density functional theory (DFT) support the radical assignments.

Effect of Nafion ionometer content on proton conductivity in the catalyst layer of proton exchange fuel cell

Energy Technology Data Exchange (ETDEWEB)

Ozalevlia, Cihan Cemil; Jian Xie; Xu, Fan [METU MS Mechanical Engineering (United States)], email: cihan.ozalevli@metu.edu.tr, email: jianxie@iupui.edu, email: fanxu@iupui.edu

2011-07-01

In the energy conversion sector, proton exchange fuel cells (PEFC's) are among the most promising technologies for the future. The Nafion ionometer is the most important part of the membrane electrode assembly (MEA) which is the core technology of the system. The Nafion ionometer is both a proton conductor and a binder for the catalyst layer in the technology. The aim of this study is to assess the effect of the Nafion content in the cathode catalyst layer on the proton conductivity of the MEA. Two MEAs with different Nafion content were prepared following the LANL process and the proton conductivity of the catalyst layer was measured. Results showed a much higher performance of the 28wt. % Nafion MEA than the 10wt. %. This study demonstrated that when the Nafion ionometer content decreases, the performance of the fuel cell decreases; further investigations should be undertaken with Nafion ionometer amounts of 15wt. % to 20wt. %.

Novel proton exchange membrane based on crosslinked poly(vinyl alcohol) for direct methanol fuel cells

Science.gov (United States)

Liu, Chien-Pan; Dai, Chi-An; Chao, Chi-Yang; Chang, Shoou-Jinn

2014-03-01

In this study, we report the synthesis and the characterization of poly (vinyl alcohol) based proton conducting membranes. In particular, we describe a novel physically and chemically PVA/HFA (poly (vinyl alcohol)/hexafluoroglutaric acid) blending membranes with BASANa (Benzenesulfonic acid sodium salt) and GA (Glutaraldehyde) as binary reaction agents. The key PEM parameters such as ion exchange capacity (IEC), water uptake, proton conductivity, and methanol permeability were controlled by adjusting the chemical composition of the membranes. The IEC value of the membrane is found to be an important parameter in affecting water uptake, conductivity as well as the permeability of the resulting membrane. Plots of the water uptake, conductivity, and methanol permeability vs. IEC of the membranes show a distinct change in the slope of their curves at roughly the same IEC value which suggests a transition of structural changes in the network. The proton conductivities and the methanol permeability of all the membranes are in the range of 10-3-10-2 S cm-1 and 10-8-10-7 cm2 s-1, respectively, depending on its binary crosslinking density, and it shows great selectivity compared with those of Nafion®-117. The membranes display good mechanical properties which suggest a good lifetime usage of the membranes applied in DMFCs.

Modelling and validation of Proton exchange membrane fuel cell (PEMFC)

Science.gov (United States)

Mohiuddin, A. K. M.; Basran, N.; Khan, A. A.

2018-01-01

This paper is the outcome of a small scale fuel cell project. Fuel cell is an electrochemical device that converts energy from chemical reaction to electrical work. Proton Exchange Membrane Fuel Cell (PEMFC) is one of the different types of fuel cell, which is more efficient, having low operational temperature and fast start up capability results in high energy density. In this study, a mathematical model of 1.2 W PEMFC is developed and simulated using MATLAB software. This model describes the PEMFC behaviour under steady-state condition. This mathematical modeling of PEMFC determines the polarization curve, power generated, and the efficiency of the fuel cell. Simulation results were validated by comparing with experimental results obtained from the test of a single PEMFC with a 3 V motor. The performance of experimental PEMFC is little lower compared to simulated PEMFC, however both results were found in good agreement. Experiments on hydrogen flow rate also been conducted to obtain the amount of hydrogen consumed to produce electrical work on PEMFC.

High temperature proton exchange membranes prepared from epoxycyclohexylethyltrimethoxysilane and amino trimethylene phosphonic acid as anhydrous proton conductors

International Nuclear Information System (INIS)

Chen, Cheng; Shen, Chunhui; Kong, Gengjin; Gao, Shanjun

2013-01-01

High temperature anhydrous proton exchange membranes based on phosphonic acid were prepared from epoxycyclohexylethyltrimethoxysilane (EHTMS) and amino trimethylene phosphonic acid (ATMP) by sol–gel process. The structures and properties of membranes with different phosphonic acid content were extensively characterized by FTIR, TG-DSC and XRD. Their proton conductivity under dry condition was also investigated under different temperature. The results show that the proton conductivity of the prepared membranes strongly depends on temperature, and the proton conductivity ranges from 8.81 × 10 −5 S cm −1 at 20 °C to 4.65 × 10 −2 S cm −1 at 140 °C under anhydrous condition. It indicates that the increasing temperature is favorable for congregating of the grafted–PO 3 H 2 and increasing of the proton mobility. In addition, from the results of AFM images, it was confirmed that the continuous distribution of phosphonic acid groups is favorable for the formation of the proton transport channel, which can significantly enhance the proton conductivity of the membranes. Highlights: ► Hybrid membranes of Epoxycyclohexylethyltrimethoxysilane and Amino trimethylene phosphonic acid. ► The proton conductivity is 4.65 × 10 −2 S cm −1 at 140 °C under anhydrous condition. ► Continuous uniform distributions of phosphonic acid groups can be observed by AFM. ► There could be hydrogen bond network within high temperature membranes

High temperature proton exchange membranes prepared from epoxycyclohexylethyltrimethoxysilane and amino trimethylene phosphonic acid as anhydrous proton conductors

Energy Technology Data Exchange (ETDEWEB)

Chen, Cheng [Department of Polymer Materials and Engineering, School of Material Science and Engineering, Wuhan University of Technology, No. 122 Luoshi Road, Wuhan 430070 (China); Shen, Chunhui, E-mail: shenchunhui@whut.edu.cn [Department of Polymer Materials and Engineering, School of Material Science and Engineering, Wuhan University of Technology, No. 122 Luoshi Road, Wuhan 430070 (China); Kong, Gengjin; Gao, Shanjun [Department of Polymer Materials and Engineering, School of Material Science and Engineering, Wuhan University of Technology, No. 122 Luoshi Road, Wuhan 430070 (China)

2013-06-15

High temperature anhydrous proton exchange membranes based on phosphonic acid were prepared from epoxycyclohexylethyltrimethoxysilane (EHTMS) and amino trimethylene phosphonic acid (ATMP) by sol–gel process. The structures and properties of membranes with different phosphonic acid content were extensively characterized by FTIR, TG-DSC and XRD. Their proton conductivity under dry condition was also investigated under different temperature. The results show that the proton conductivity of the prepared membranes strongly depends on temperature, and the proton conductivity ranges from 8.81 × 10{sup −5} S cm{sup −1} at 20 °C to 4.65 × 10{sup −2} S cm{sup −1} at 140 °C under anhydrous condition. It indicates that the increasing temperature is favorable for congregating of the grafted–PO{sub 3}H{sub 2} and increasing of the proton mobility. In addition, from the results of AFM images, it was confirmed that the continuous distribution of phosphonic acid groups is favorable for the formation of the proton transport channel, which can significantly enhance the proton conductivity of the membranes. Highlights: ► Hybrid membranes of Epoxycyclohexylethyltrimethoxysilane and Amino trimethylene phosphonic acid. ► The proton conductivity is 4.65 × 10{sup −2} S cm{sup −1} at 140 °C under anhydrous condition. ► Continuous uniform distributions of phosphonic acid groups can be observed by AFM. ► There could be hydrogen bond network within high temperature membranes.

Highly fluorinated comb-shaped copolymer as proton exchange membranes (PEMs): Fuel cell performance

Energy Technology Data Exchange (ETDEWEB)

Kim, Dae Sik; Guiver, Michael D.; Ding, Jianfu [Institute for Chemical Process and Environmental Technology, National Research Council, 1200 Montreal Road, Ottawa, Ontario K1A 0R6 (Canada); Kim, Yu.Seung; Pivovar, Bryan S. [Materials Physics and Applications, Sensors and Electrochemical Devices Group, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2008-07-15

The fuel cell performance (DMFC and H{sub 2}/air) of highly fluorinated comb-shaped copolymer is reported. The initial performance of membrane electrode assemblies (MEAs) fabricated from comb-shaped copolymer containing a side-chain weight fraction of 22% are compared with those derived from Nafion and sulfonated polysulfone (BPSH-35) under DMFC conditions. The low water uptake of comb copolymer enabled an increase in proton exchange site concentrations in the hydrated polymer, which is a desirable membrane property for DMFC application. The comb-shaped copolymer architecture induces phase separated morphology between the hydrophobic fluoroaromatic backbone and the polysulfonic acid side chains. The initial performance of the MEAs using BPSH-35 and Comb 22 copolymer were comparable and higher than that of the Nafion MEA at all methanol concentrations. For example, the power density of the MEA using Comb 22 copolymer at 350 mA cm{sup -2} and 0.5 M methanol was 145 mW cm{sup -2}, whereas the power densities of MEAs using BPSH-35 were 136 mW cm{sup -2}. The power density of the MEA using Comb 22 copolymer at 350 mA cm{sup -2} and 2.0 M methanol was 144.5 mW cm{sup -2}, whereas the power densities of MEAs using BPSH-35 were 143 mW cm{sup -2}. (author)

Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries.

Science.gov (United States)

Brorsen, Kurt R; Yang, Yang; Hammes-Schiffer, Sharon

2017-08-03

Nuclear quantum effects such as zero point energy play a critical role in computational chemistry and often are included as energetic corrections following geometry optimizations. The nuclear-electronic orbital (NEO) multicomponent density functional theory (DFT) method treats select nuclei, typically protons, quantum mechanically on the same level as the electrons. Electron-proton correlation is highly significant, and inadequate treatments lead to highly overlocalized nuclear densities. A recently developed electron-proton correlation functional, epc17, has been shown to provide accurate nuclear densities for molecular systems. Herein, the NEO-DFT/epc17 method is used to compute the proton affinities for a set of molecules and to examine the role of nuclear quantum effects on the equilibrium geometry of FHF - . The agreement of the computed results with experimental and benchmark values demonstrates the promise of this approach for including nuclear quantum effects in calculations of proton affinities, pK a 's, optimized geometries, and reaction paths.

Modeling Of Proton Exchange Membrane Fuel Cell Systems

DEFF Research Database (Denmark)

Nielsen, Mads Pagh

The objective of this doctoral thesis was to develop reliable steady-state and transient component models suitable to asses-, develop- and optimize proton exchange membrane (PEM) fuel cell systems. Several components in PEM fuel cell systems were characterized and modeled. The developed component...... cell systems. Consequences of indirectly fueling PEM stacks with hydrocarbons using reforming technology were investigated using a PEM stack model including CO poisoning kinetics and a transient Simulink steam reforming system model. Aspects regarding the optimization of PEM fuel cell systems...

Cobalt oxide-based catalysts deposited by cold plasma for proton exchange membrane fuel cells

Energy Technology Data Exchange (ETDEWEB)

Kazimierski, P.; Jozwiak, L.; Sielski, J.; Tyczkowski, J., E-mail: jacek.tyczkowski@p.lodz.pl

2015-11-02

In proton exchange membrane fuel cells (PEMFC), both the anodic hydrogen oxidation reaction and the cathodic oxygen reduction reaction (ORR) require appropriate catalysts. So far, platinum-based catalysts are still the best option for this purpose. However, because these catalysts are too expensive for making commercially viable fuel cells, extensive research over the past decade has focused on developing noble metal-free alternative catalysts. In this paper, an approach based on cobalt oxide films fabricated by plasma-enhanced metal-organic chemical vapor deposition is presented. Such a material can be used to prepare catalysts for ORR in PEMFC. The films containing CoO{sub X} were deposited on a carbon paper thereby forming the electrode. Morphology and atomic composition of the films were investigated by scanning electron microscopy and energy-dispersive X-ray spectroscopy, respectively. The possibility of their application as the electro-catalyst for ORR in PEMFC was investigated and the electro-catalytic activities were evaluated by the electrochemical measurements and single cell tests. It was found that the fuel cell with Pt as the anode catalyst and CoO{sub X} deposit as the cathode catalyst was characterized by the open circuit voltage of 635 mV, Tafel slope of approx. 130 mV/dec and the maximum power density of 5.3 W/m{sup 2}. - Highlights: • Cobalt oxide catalyst for proton exchange membrane fuel cells was plasma deposited. • The catalyst exhibits activity for the oxygen reduction reaction. • Morphology and atomic composition of the catalyst were determined.

Poly(dA-dT).poly(dA-dT) two-pathway proton exchange mechanism. Effect of general and specific base catalysis on deuteration rates

International Nuclear Information System (INIS)

Hartmann, B.; Leng, M.; Ramstein, J.

1986-01-01

The deuteration rates of the poly(dA-dT).poly(dA-dT) amino and imino protons have been measured with stopped-flow spectrophotometry as a function of general and specific base catalyst concentration. Two proton exchange classes are found with time constants differing by a factor of 10 (4 and 0.4 s-1). The slower class represents the exchange of the adenine amino protons whereas the proton of the faster class has been assigned to the thymine imino proton. The exchange rates of these two classes of protons are independent of general and specific base catalyst concentration. This very characteristic behavior demonstrates that in our experimental conditions the exchange rates of the imino and amino protons in poly(dA-dT).poly(dA-dT) are limited by two different conformational fluctuations. We present a three-state exchange mechanism accounting for our experimental results

Modelling of proton exchange membrane fuel cell performance based on semi-empirical equations

Energy Technology Data Exchange (ETDEWEB)

Al-Baghdadi, Maher A.R. Sadiq [Babylon Univ., Dept. of Mechanical Engineering, Babylon (Iraq)

2005-08-01

Using semi-empirical equations for modeling a proton exchange membrane fuel cell is proposed for providing a tool for the design and analysis of fuel cell total systems. The focus of this study is to derive an empirical model including process variations to estimate the performance of fuel cell without extensive calculations. The model take into account not only the current density but also the process variations, such as the gas pressure, temperature, humidity, and utilization to cover operating processes, which are important factors in determining the real performance of fuel cell. The modelling results are compared well with known experimental results. The comparison shows good agreements between the modeling results and the experimental data. The model can be used to investigate the influence of process variables for design optimization of fuel cells, stacks, and complete fuel cell power system. (Author)

Tandem cathode for proton exchange membrane fuel cells

DEFF Research Database (Denmark)

Siahrostami, Samira; Björketun, Mårten E.; Strasser, Peter

2013-01-01

The efficiency of proton exchange membrane fuel cells is limited mainly by the oxygen reduction reaction at the cathode. The large cathodic overpotential is caused by correlations between binding energies of reaction intermediates in the reduction of oxygen to water. This work introduces a novel...... to identify potentially active and selective materials for both catalysts. Co-porphyrin is recommended for the first step, formation of hydrogen peroxide, and three different metal oxides – SrTiO3(100), CaTiO3(100) and WO3(100) – are suggested for the subsequent reduction step....

Effects of the anion salt nature on the rate constants of the aqueous proton exchange reactions.

Science.gov (United States)

Paredes, Jose M; Garzon, Andres; Crovetto, Luis; Orte, Angel; Lopez, Sergio G; Alvarez-Pez, Jose M

2012-04-28

The proton-transfer ground-state rate constants of the xanthenic dye 9-[1-(2-methyl-4-methoxyphenyl)]-6-hydroxy-3H-xanthen-3-one (TG-II), recovered by Fluorescence Lifetime Correlation Spectroscopy (FLCS), have proven to be useful to quantitatively reflect specific cation effects in aqueous solutions (J. M. Paredes, L. Crovetto, A. Orte, J. M. Alvarez-Pez and E. M. Talavera, Phys. Chem. Chem. Phys., 2011, 13, 1685-1694). Since these phenomena are more sensitive to anions than to cations, in this paper we have accounted for the influence of salts with the sodium cation in common, and the anion classified according to the empirical Hofmeister series, on the proton transfer rate constants of TG-II. We demonstrate that the presence of ions accelerates the rate of the ground-state proton-exchange reaction in the same order than ions that affect ion solvation in water. The combination of FLCS with a fluorophore undergoing proton transfer reactions in the ground state, along with the desirable feature of a pseudo-dark state when the dye is protonated, allows one unique direct determination of kinetic rate constants of the proton exchange chemical reaction. This journal is © the Owner Societies 2012

Forecasting Exchange Rate Density Using Parametric Models: the Case of Brazil

Directory of Open Access Journals (Sweden)

Benjamin Miranda Tabak

2007-06-01

Full Text Available This paper employs a recently developed parametric technique to obtain density forecasts for the Brazilian exchange rate, using the exchange rate options market. Empirical results suggest that the option market contains useful information about future exchange rate density. These results suggests that density forecasts using options markets may add value for portfolio and risk management, and may be useful for financial regulators to assess financial stability.

Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory

DEFF Research Database (Denmark)

Sharma, S.; Pittalis, S.; Kurth, S.

2007-01-01

The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero external magnetic field. We find that for magnetic (Fe, Co......, and Ni) and nonmagnetic (Si and Ge) solids, the exact-exchange current-spin-density functional approach does not significantly improve the accuracy of the corresponding spin-density functional results....

Numerical simulation of proton exchange membrane fuel cells at high operating temperature

Science.gov (United States)

Peng, Jie; Lee, Seung Jae

A three-dimensional, single-phase, non-isothermal numerical model for proton exchange membrane (PEM) fuel cell at high operating temperature (T ≥ 393 K) was developed and implemented into a computational fluid dynamic (CFD) code. The model accounts for convective and diffusive transport and allows predicting the concentration of species. The heat generated from electrochemical reactions, entropic heat and ohmic heat arising from the electrolyte ionic resistance were considered. The heat transport model was coupled with the electrochemical and mass transport models. The product water was assumed to be vaporous and treated as ideal gas. Water transportation across the membrane was ignored because of its low water electro-osmosis drag force in the polymer polybenzimidazole (PBI) membrane. The results show that the thermal effects strongly affect the fuel cell performance. The current density increases with the increasing of operating temperature. In addition, numerical prediction reveals that the width and distribution of gas channel and current collector land area are key optimization parameters for the cell performance improvement.

Numerical simulation of proton exchange membrane fuel cells at high operating temperature

Energy Technology Data Exchange (ETDEWEB)

Peng, Jie; Lee, Seung Jae [Energy Lab, Samsung Advanced Institute of Technology, Mt. 14-1 Nongseo-Dong, Giheung-Gu, Yongin-Si, Gyeonggi-Do 446-712 (Korea, Republic of)

2006-11-22

A three-dimensional, single-phase, non-isothermal numerical model for proton exchange membrane (PEM) fuel cell at high operating temperature (T>=393K) was developed and implemented into a computational fluid dynamic (CFD) code. The model accounts for convective and diffusive transport and allows predicting the concentration of species. The heat generated from electrochemical reactions, entropic heat and ohmic heat arising from the electrolyte ionic resistance were considered. The heat transport model was coupled with the electrochemical and mass transport models. The product water was assumed to be vaporous and treated as ideal gas. Water transportation across the membrane was ignored because of its low water electro-osmosis drag force in the polymer polybenzimidazole (PBI) membrane. The results show that the thermal effects strongly affect the fuel cell performance. The current density increases with the increasing of operating temperature. In addition, numerical prediction reveals that the width and distribution of gas channel and current collector land area are key optimization parameters for the cell performance improvement. (author)

Molecular dynamics simulation of radiation grafted FEP films as proton exchange membranes: Effects of the side chain length

DEFF Research Database (Denmark)

Li, Xue; Zhao, Yang; Li, Weiwei

2017-01-01

In order to study the microstructure of the prepared potential proton exchange membrane (PEM), molecular dynamics (MD) simulations were used to lucubrate the transport behavior of water molecules and hydronium ions inside the hydrated sulfonated styrene grafted fluorinated ethylene propylene (FEP...... whereas larger water clusters formed. The results of the mean square displacements (MSDs) show that the proton conductivities of the membranes with the proposed side chain lengths were about three fifths of the experimental data, of which the membrane with side chain length of 7 sulfonic styrene units...... was supposed to exhibit the highest proton conductivity, that is 115.69 mS cm-1. All of the supposed membrane models presented good proton conductivity that could definitely meet the application requirements of the proton exchange membranes. The MD simulations can provide an insight to the chain structure...

Neutron and proton densities and the symmetry energy

International Nuclear Information System (INIS)

Bodmer, A.R.; Usmani, Q.N.

2003-01-01

The neutron/proton distributions in nuclei, in particular, the n-p difference, are considered in a 'macroscopic' Thomas-Fermi approach. The density dependence F(ρ) of the symmetry-energy density, where ρ is the total density, drives this difference in the absence of Coulomb and density-gradient contributions when we obtain an explicit solution for the difference in terms of F. If F is constant then the n-p difference and, in particular, the difference δR between the neutron and proton rms radii are zero. The Coulomb energy and gradient terms are treated variationally. The latter make only a small contribution to the n-p difference, and this is then effectively determined by F. The Coulomb energy reduces δR. Switching off the Coulomb contribution to the n-p difference then gives the maximum δR for a given F. Our numerical results are for 208 Pb. We consider a wide range of F; for these, both δR and the ratio χ of the surface to volume symmetry-energy coefficient depend, approximately, only on an integral involving F -1 . For δR < or approx. 0.45 fm this dependence is one valued and approximately linear for small δR, and this integral is then effectively determined by δR. There is a strong correlation between δR and χ, allowing an approximate determination of χ from δR. δR has a maximum of congruent with 0.65 fm

Synthesis and Characterization of Sulfonated Graphene Oxide Reinforced Sulfonated Poly (Ether Ether Ketone (SPEEK Composites for Proton Exchange Membrane Materials

Directory of Open Access Journals (Sweden)

Ning Cao

2018-03-01

Full Text Available As a clean energy utilization device, full cell is gaining more and more attention. Proton exchange membrane (PEM is a key component of the full cell. The commercial-sulfonated, tetrafluoroethylene-based fluoropolymer-copolymer (Nafion membrane exhibits excellent proton conductivity under a fully humidified environment. However, it also has some disadvantages in practice, such as high fuel permeability, a complex synthesis process, and high cost. To overcome these disadvantages, a low-cost and novel membrane was developed. The sulfonated poly (ether ether ketone (SPEEK was selected as the base material of the proton exchange membrane. Sulfonated graphene (SG was cross-linked with SPEEK through the elimination reaction of hydrogen bonds. It was found that the sulfonic acid groups and hydrophilic oxygen groups increased obviously in the resultant membrane. Compared with the pure SPEEK membrane, the SG-reinforced membrane exhibited better proton conductivity and methanol permeability prevention. The results indicate that the SG/SPEEK could be applied as a new proton exchange membrane in fuel cells.

A perturbative treatment of double gluon exchange in γ*-proton DIS

International Nuclear Information System (INIS)

Kharraziha, H.

2000-04-01

A new model for the exchange of two gluons between the virtual photon and the proton, in non-diffractive deeply inelastic electron-proton scattering, is developed and studied. This model relies on a perturbative calculation, previously applied to diffraction, and a general result from Regge theory. As a first application of the model, we study corrections to the momentum transfer to the quark-anti-quark pair, at the photon-vertex. We find a significant enhancement of the cross-section at ∝Q 2 momentum transfers, and large negative corrections for small momentum transfers. The implication of this result for jet-distributions measured at HERA, is discussed. (orig.)

Nonlocal exchange and kinetic-energy density functionals for electronic systems

International Nuclear Information System (INIS)

Glossman, M.D.; Rubio, A.; Balbas, L.C.; Alonso, J.A.

1992-01-01

The nonlocal weighted density approximation (WDA) to the exchange and kinetic-energy functionals of many electron systems proposed several years ago by Alonso and Girifalco is used to compute, within the framework of density functional theory, the ground-state electronic density and total energy of noble gas atoms and of neutral jellium-like sodium clusters containing up to 500 atoms. These results are compared with analogous calculations using the well known Thomas-Fermi-Weizsacker-Dirac (TFWD) approximations for the kinetic (TFW) and exchange (D) energy density functionals. An outstanding improvement of the total and exchange energies, of the density at the nucleus and of the expectation values is obtained for atoms within the WDA scheme. For sodium clusters the authors notice a sizeable contribution of the nonlocal effects to the total energy and to the density profiles. In the limit of very large clusters these effects should affect the surface energy of the bulk metal

Numerical study on channel size effect for proton exchange membrane fuel cell with serpentine flow field

International Nuclear Information System (INIS)

Wang Xiaodong; Yan Weimon; Duan Yuanyuan; Weng Fangbor; Jung Guobin; Lee Chiyuan

2010-01-01

This work numerically investigates the effect of the channel size on the cell performance of proton exchange membrane (PEM) fuel cells with serpentine flow fields using a three-dimensional, two-phase model. The local current densities in the PEM, oxygen mass flow rates and liquid water concentrations at the interface of the cathode gas diffusion layer and catalyst layer were analyzed to understand the channel size effect. The predictions show that smaller channel sizes enhance liquid water removal and increase oxygen transport to the porous layers, which improve cell performance. Additionally, smaller channel sizes also provide more uniform current density distributions in the cell. However, as the channel size decreases, the total pressure drops across the cell increases, which leads to more pump work. With taking into account the pressure losses, the optimal cell performance occurs for a cell with a flow channel cross-sectional area of 0.535 x 0.535 mm 2 .

Annealed proton exchanged optical waveguides in lithium niobate differences between the X- and Z-cuts

CERN Document Server

Nekvindova, P; Cervena, J; Budnar, M; Razpet, A; Zorko, B; Pelicon, P; 10.1016/S0925-3467(01)00186-0

2002-01-01

Summarizes results and assessments of our systematic fabrication and characterization of proton exchanged (PE) and annealed proton exchanged (APE) waveguides in lithium niobate. This study focused on different behavior of crystallographically diverse X(1120) and Z (0001) substrate cuts during waveguide fabrication, and differences in characteristics of the resulting waveguides. Non-toxic adipic acid was used as a proton source, and the waveguides properties were defined by mode spectroscopy (waveguide characteristics) and neutron depth profiling (NDP, lithium concentration and distribution), infrared vibration spectra and elastic recoil detection analysis (ERDA, concentration and depth distribution of hydrogen). It was discovered that the X-cut structure is more permeable for moving particles (lithium and hydrogen ions), which leads to a higher effectiveness of the PE process within the X-cut. The explanation of this phenomenon is based on fitting X-cut orientation towards cleavage planes of lithium niobate c...

Nanostructure-based proton exchange membrane for fuel cell applications at high temperature.

Science.gov (United States)

Li, Junsheng; Wang, Zhengbang; Li, Junrui; Pan, Mu; Tang, Haolin

2014-02-01

As a clean and highly efficient energy source, the proton exchange membrane fuel cell (PEMFC) has been considered an ideal alternative to traditional fossil energy sources. Great efforts have been devoted to realizing the commercialization of the PEMFC in the past decade. To eliminate some technical problems that are associated with the low-temperature operation (such as catalyst poisoning and poor water management), PEMFCs are usually operated at elevated temperatures (e.g., > 100 degrees C). However, traditional proton exchange membrane (PEM) shows poor performance at elevated temperature. To achieve a high-performance PEM for high temperature fuel cell applications, novel PEMs, which are based on nanostructures, have been developed recently. In this review, we discuss and summarize the methods for fabricating the nanostructure-based PEMs for PEMFC operated at elevated temperatures and the high temperature performance of these PEMs. We also give an outlook on the rational design and development of the nanostructure-based PEMs.

Amide proton solvent protection in amylin fibrils probed by quenched hydrogen exchange NMR.

Directory of Open Access Journals (Sweden)

Andrei T Alexandrescu

Full Text Available Amylin is an endocrine hormone that accumulates in amyloid plaques in patients with advanced type 2 diabetes. The amyloid plaques have been implicated in the destruction of pancreatic β-cells, which synthesize amylin and insulin. To better characterize the secondary structure of amylin in amyloid fibrils we assigned the NMR spectrum of the unfolded state in 95% DMSO and used a quenched hydrogen-deuterium exchange technique to look at amide proton solvent protection in the fibrils. In this technique, partially exchanged fibrils are dissolved in 95% DMSO and information about amide proton occupancy in the fibrils is determined from DMSO-denatured monomers. Hydrogen exchange lifetimes at pH 7.6 and 37°C vary between ∼5 h for the unstructured N-terminus to 600 h for amide protons in the two β-strands that form inter-molecular hydrogen bonds between amylin monomers along the length of the fibril. Based on the protection data we conclude that residues A8-H18 and I26-Y37 comprise the two β-strands in amylin fibrils. There is variation in protection within the β-strands, particularly for strand β1 where only residues F15-H18 are strongly protected. Differences in protection appear to be due to restrictions on backbone dynamics imposed by the packing of two-layers of C2-symmetry-related β-hairpins in the protofilament structure, with strand β1 positioned on the surface and β2 in the interior.

Performance equations of proton exchange membrane fuel cells with feeds of varying degrees of humidification

International Nuclear Information System (INIS)

Hsuen, Hsiao-Kuo; Yin, Ken-Ming

2012-01-01

Performance equations that describe the dependence of cell potential on current density for proton exchange membrane fuel cells (PEMFCs) with feeds of varying degrees of humidification have been formulated in algebraic form. The equations are developed by the reduction of a one-dimensional multi-domain model that takes into account, in details, the transport limitations of gas species, proton migration and electron conduction, electrochemical kinetics, as well as liquid water flow within the cathode, anode, and membrane. The model equations for the anode and membrane were integrated with those of the cathode developed in the previous studies to form a complete set of equations for one-dimensional single cell model. Because the transport equations for the anode diffuser can be solved analytically, calculations of integrals are only needed in the membrane and the two-phase region of cathode diffuser. The proposed approach greatly reduces the complexity of the model equations, and only iterations of a single algebraic equation are required to obtain final solutions. Since the performance equations are originated from a mechanistic one-dimensional model, all the parameters appearing in the equations are endowed with a precise physical significance.

Modeling the chelation of As(III) in lewisite by dithiols using density functional theory and solvent-assisted proton exchange.

Science.gov (United States)

Harper, Lenora K; Bayse, Craig A

2015-12-01

Dithiols such as British anti-lewisite (BAL, rac-2,3-dimercaptopropanol) are an important class of antidotes for the blister agent lewisite (trans-2-chlorovinyldichloroarsine) and, more generally, are chelating agents for arsenic and other toxic metals. The reaction of the vicinal thiols of BAL with lewisite through the chelation of the As(III) center has been modeled using density functional theory (DFT) and solvent-assisted proton exchange (SAPE), a microsolvation method that uses a network of water molecules to mimic the role of bulk solvent in models of aqueous phase chemical reactions. The small activation barriers for the stepwise SN2-type nucleophilic attack of BAL on lewisite (0.7-4.9kcal/mol) are consistent with the favorable leaving group properties of the chloride and the affinity of As(III) for soft sulfur nucleophiles. Small, but insignificant, differences in activation barriers were found for the initial attack of the primary versus secondary thiol of BAL and the R vs S enantiomer. An examination of the relative stability of various dithiol-lewisite complexes shows that ethanedithiols like BAL form the most favorable chelation complexes because the angles formed in five-membered ring are most consistent with the hybridization of As(III). More obtuse S-As-S angles are required for larger chelate rings, but internal As⋯N or As⋯O interactions can enhance the stability of moderate-sized rings. The low barriers for lewisite detoxification by BAL and the greater stability of the chelation complexes of small dithiols are consistent with the rapid reversal of toxicity demonstrated in previously reported animal models. Copyright © 2015 Elsevier Inc. All rights reserved.

Increased CEST specificity for amide and fast-exchanging amine protons using exchange-dependent relaxation rate.

Science.gov (United States)

Zhang, Xiao-Yong; Wang, Feng; Xu, Junzhong; Gochberg, Daniel F; Gore, John C; Zu, Zhongliang

2018-02-01

Chemical exchange saturation transfer (CEST) imaging of amides at 3.5 ppm and fast-exchanging amines at 3 ppm provides a unique means to enhance the sensitivity of detection of, for example, proteins/peptides and neurotransmitters, respectively, and hence can provide important information on molecular composition. However, despite the high sensitivity relative to conventional magnetic resonance spectroscopy (MRS), in practice, CEST often has relatively poor specificity. For example, CEST signals are typically influenced by several confounding effects, including direct water saturation (DS), semi-solid non-specific magnetization transfer (MT), the influence of water relaxation times (T 1w ) and nearby overlapping CEST signals. Although several editing techniques have been developed to increase the specificity by removing DS, semi-solid MT and T 1w influences, it is still challenging to remove overlapping CEST signals from different exchanging sites. For instance, the amide proton transfer (APT) signal could be contaminated by CEST effects from fast-exchanging amines at 3 ppm and intermediate-exchanging amines at 2 ppm. The current work applies an exchange-dependent relaxation rate (R ex ) to address this problem. Simulations demonstrate that: (1) slowly exchanging amides and fast-exchanging amines have distinct dependences on irradiation powers; and (2) R ex serves as a resonance frequency high-pass filter to selectively reduce CEST signals with resonance frequencies closer to water. These characteristics of R ex provide a means to isolate the APT signal from amines. In addition, previous studies have shown that CEST signals from fast-exchanging amines have no distinct features around their resonance frequencies. However, R ex gives Lorentzian lineshapes centered at their resonance frequencies for fast-exchanging amines and thus can significantly increase the specificity of CEST imaging for amides and fast-exchanging amines. Copyright © 2017 John Wiley & Sons

Towards neat methanol operation of direct methanol fuel cells: a novel self-assembled proton exchange membrane.

Science.gov (United States)

Li, Jing; Cai, Weiwei; Ma, Liying; Zhang, Yunfeng; Chen, Zhangxian; Cheng, Hansong

2015-04-18

We report here a novel proton exchange membrane with remarkably high methanol-permeation resistivity and excellent proton conductivity enabled by carefully designed self-assembled ionic conductive channels. A direct methanol fuel cell utilizing the membrane performs well with a 20 M methanol solution, very close to the concentration of neat methanol.

Quantitative chemical exchange saturation transfer (qCEST) MRI - omega plot analysis of RF-spillover-corrected inverse CEST ratio asymmetry for simultaneous determination of labile proton ratio and exchange rate.

Science.gov (United States)

Wu, Renhua; Xiao, Gang; Zhou, Iris Yuwen; Ran, Chongzhao; Sun, Phillip Zhe

2015-03-01

Chemical exchange saturation transfer (CEST) MRI is sensitive to labile proton concentration and exchange rate, thus allowing measurement of dilute CEST agent and microenvironmental properties. However, CEST measurement depends not only on the CEST agent properties but also on the experimental conditions. Quantitative CEST (qCEST) analysis has been proposed to address the limitation of the commonly used simplistic CEST-weighted calculation. Recent research has shown that the concomitant direct RF saturation (spillover) effect can be corrected using an inverse CEST ratio calculation. We postulated that a simplified qCEST analysis is feasible with omega plot analysis of the inverse CEST asymmetry calculation. Specifically, simulations showed that the numerically derived labile proton ratio and exchange rate were in good agreement with input values. In addition, the qCEST analysis was confirmed experimentally in a phantom with concurrent variation in CEST agent concentration and pH. Also, we demonstrated that the derived labile proton ratio increased linearly with creatine concentration (P analysis can simultaneously determine labile proton ratio and exchange rate in a relatively complex in vitro CEST system. Copyright © 2015 John Wiley & Sons, Ltd.

The Solid-Phase Synthesis of an Fe-N-C Electrocatalyst for High-Power Proton-Exchange Membrane Fuel Cells.

Science.gov (United States)

Liu, Qingtao; Liu, Xiaofang; Zheng, Lirong; Shui, Jianglan

2018-01-26

The environmentally friendly synthesis of highly active Fe-N-C electrocatalysts for proton-exchange membrane fuel cells (PEMFCs) is desirable but remains challenging. A simple and scalable method is presented to fabricate Fe II -doped ZIF-8, which can be further pyrolyzed into Fe-N-C with 3 wt % of Fe exclusively in Fe-N 4 active moieties. Significantly, this Fe-N-C derived acidic PEMFC exhibits an unprecedented current density of 1.65 A cm -2 at 0.6 V and the highest power density of 1.14 W cm -2 compared with previously reported NPMCs. The excellent PEMFC performance can be attributed to the densely and atomically dispersed Fe-N 4 active moieties on the small and uniform catalyst nanoparticles. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Carbon nanofiber growth on carbon paper for proton exchange membrane fuel cells

NARCIS (Netherlands)

Celebi, S.; Nijhuis, T.A.; Schaaf, van der J.; Bruijn, de F.A.; Schouten, J.C.

2011-01-01

Homogeneous deposition precipitation (HDP) of nickel has been investigated for the growth of carbon nanofibers (CNFs) on carbon paper for use in proton exchange membrane fuel cells as a gas diffusion layer. Selective CNF growth on only one side of carbon paper is required to transfer the generated

Direct fabrication of gas diffusion cathode by pulse electrodeposition for proton exchange membrane water electrolysis

Science.gov (United States)

Park, Hyanjoo; Choe, Seunghoe; Kim, Hoyoung; Kim, Dong-Kwon; Cho, GeonHee; Park, YoonSu; Jang, Jong Hyun; Ha, Don-Hyung; Ahn, Sang Hyun; Kim, Soo-Kil

2018-06-01

Pt catalysts for water electrolysis were prepared on carbon paper by using both direct current and pulse electrodeposition. Controlling the mass transfer of Pt precursor in the electrolyte by varying the deposition potential enables the formation of various Pt particle shapes such as flower-like and polyhedral particles. Further control of the deposition parameters for pulse electrodeposition resulted in changes to the particle size and density. In particular, the upper potential of pulse was found to be the critical parameter controlling the morphology of the particles and their catalytic activity. In addition to the typical electrochemical measurements, Pt samples deposited on carbon paper were used as cathodes for a proton exchange membrane water electrolyser. This single cell test revealed that our Pt particle samples have exceptional mass activity while being cost effective.

Hydrogen-exchange kinetics of the indole NH proton of the buried tryptophan in the constant fragment of the immunoglobulin light chain

International Nuclear Information System (INIS)

Kawata, Y.; Goto, Y.; Hamaguchi, K.; Hayashi, F.; Kobayashi, Y.; Kyogoku, Y.

1988-01-01

The constant fragment of the immunoglobulin light chain (type λ) has two trytophyl residues at positions 150 and 187. Trp-150 is buried in the interior, and Trp-187 lies on the surface of the molecule. The hydrogen-deuterium exchange kinetics of the indole NH proton Trp-150 were studied at various pH values at 25 0 C by 1 H nuclear magnetic resonance. Exchange rates were approximately first order in hydroxyl ion dependence above pH 8, were relatively independent of pH between pH 7 and 8, and decreased below pH 7. On the assumption that the exchange above pH 8 proceeds through local fluctuations of the protein molecule, the exchange rates between pH 7 and 8 through global unfolding were estimated. The exchange rate constant within this pH range at 25 0 C thus estimated was consistent with that of the global unfolding of the constant fragment under the same conditions as those reported previously. The activation energy for the exchange process at pH 7.8 was the same as that for the unfolding process by 2 M guanidine hydrochloride. The exchange rates of backbone NH protons were almost the same as that of the indole NH proton of Trp-150 at pH 7.l. These observations also indicated that the exchange between pH 7 and 8 occurs through global unfolding of the protein molecule and is rate-limited by the unfolding. At around pH 9, on the other hand, the activation energy for the exchange process of the indole NH proton of Trp-150 was smaller than that for the unfolding process, and the exchange rates differed according to the different signals of backbone NH protons. These findings together with the pH dependence of the rate constant indicated that exchange due to local fluctuations is predominant above pH 8

SU-E-T-470: Importance of HU-Mass Density Calibration Technique in Proton Pencil Beam Dose Calculation

Energy Technology Data Exchange (ETDEWEB)

Penfold, S; Miller, A [University of Adelaide, Adelaide, SA (Australia)

2015-06-15

Purpose: Stoichiometric calibration of Hounsfield Units (HUs) for conversion to proton relative stopping powers (RStPs) is vital for accurate dose calculation in proton therapy. However proton dose distributions are not only dependent on RStP, but also on relative scattering power (RScP) of patient tissues. RScP is approximated from material density but a stoichiometric calibration of HU-density tables is commonly neglected. The purpose of this work was to quantify the difference in calculated dose of a commercial TPS when using HU-density tables based on tissue substitute materials and stoichiometric calibrated ICRU tissues. Methods: Two HU-density calibration tables were generated based on scans of the CIRS electron density phantom. The first table was based directly on measured HU and manufacturer quoted density of tissue substitute materials. The second was based on the same CT scan of the CIRS phantom followed by a stoichiometric calibration of ICRU44 tissue materials. The research version of Pinnacle{sup 3} proton therapy was used to compute dose in a patient CT data set utilizing both HU-density tables. Results: The two HU-density tables showed significant differences for bone tissues; the difference increasing with increasing HU. Differences in density calibration table translated to a difference in calculated RScP of −2.5% for ICRU skeletal muscle and 9.2% for ICRU femur. Dose-volume histogram analysis of a parallel opposed proton therapy prostate plan showed that the difference in calculated dose was negligible when using the two different HU-density calibration tables. Conclusion: The impact of HU-density calibration technique on proton therapy dose calculation was assessed. While differences were found in the calculated RScP of bony tissues, the difference in dose distribution for realistic treatment scenarios was found to be insignificant.

Preparation of new proton exchange membranes using sulfonated poly(ether sulfone) modified by octylamine (SPESOS)

International Nuclear Information System (INIS)

Mabrouk, W.; Ogier, L.; Matoussi, F.; Sollogoub, C.; Vidal, S.; Dachraoui, M.; Fauvarque, J.F.

2011-01-01

Highlights: → New, simple and cheap way to synthesize a membrane. → The membranes combine good proton conductivities with good mechanical properties. → The membrane performances in a fuel cell are similar to the Nafion 117. - Abstract: Sulfonated poly(arylene ether sulfone) (SPES) has received considerable attention in membrane preparation for proton exchange membrane fuel cell (PEMFC). But such membranes are brittle and difficult to handle in operation. We investigated new membranes using SPES grafted with various degrees of octylamine. Five new materials made from sulfonated polyethersulfone sulfonamide (SPESOS) were synthetized with different grades of grafting. They were made from SPES, with initially an ionic exchange capacity (IEC) of 2.4 meq g -1 (1.3 H + per monomer unit). Pristine SPES with that IEC is water swelling and becomes soluble at 80 deg. C, its proton conductivity is in the range of 0.1 S cm -1 at room temperature in aqueous H 2 SO 4 1 M, similar to that of Nafion. After grafting with various amounts of octylamine, the material is water insoluble; membranes are less brittle and show sufficient ionic conductivity. Proton transport numbers were measured close to 1.

Investigation of Chemical Exchange at Intermediate Exchange Rates using a Combination of Chemical Exchange Saturation Transfer (CEST) and Spin-Locking methods (CESTrho)

Science.gov (United States)

Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

2011-01-01

Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer (CEST) and T1ρ magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime. PMID:22009759

Investigation of chemical exchange at intermediate exchange rates using a combination of chemical exchange saturation transfer (CEST) and spin-locking methods (CESTrho).

Science.gov (United States)

Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

2012-07-01

Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer and T(1)(ρ) magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime. Copyright © 2011 Wiley Periodicals, Inc.

Characterization of creatine guanidinium proton exchange by water-exchange (WEX) spectroscopy for absolute-pH CEST imaging in vitro.

Science.gov (United States)

Goerke, Steffen; Zaiss, Moritz; Bachert, Peter

2014-05-01

Chemical exchange saturation transfer (CEST) enables indirect detection of small metabolites in tissue by MR imaging. To optimize and interpret creatine-CEST imaging we characterized the dependence of the exchange-rate constant k(sw) of creatine guanidinium protons in aqueous creatine solutions as a function of pH and temperature T in vitro. Model solutions in the low pH range (pH = 5-6.4) were measured by means of water-exchange (WEX)-filtered ¹H NMR spectroscopy on a 3 T whole-body MR tomograph. An extension of the Arrhenius equation with effective base-catalyzed Arrhenius parameters yielded a general expression for k(sw) (pH, T). The defining parameters were identified as the effective base-catalyzed rate constant k(b,eff) (298.15 K) = (3.009 ± 0.16) × 10⁹  Hz l/mol and the effective activation energy E(A,b,eff)  = (32.27 ± 7.43) kJ/mol at a buffer concentration of c(buffer)  = (1/15) M. As expected, a strong dependence of k(sw) on temperature was observed. The extrapolation of the exchange-rate constant to in vivo conditions (pH = 7.1, T = 37 °C) led to the value of the exchange-rate constant k(sw)  = 1499 Hz. With the explicit function k(sw) (pH, T) available, absolute-pH CEST imaging could be realized and experimentally verified in vitro. By means of our calibration method it is possible to adjust the guanidinium proton exchange-rate constant k(sw) to any desired value by preparing creatine model solutions with a specific pH and temperature. Copyright © 2014 John Wiley & Sons, Ltd.

Modified nanocrystal cellulose/fluorene-containing sulfonated poly(ether ether ketone ketone) composites for proton exchange membranes

Science.gov (United States)

Wei, Yingcong; Shang, Yabei; Ni, Chuangjiang; Zhang, Hanyu; Li, Xiaobai; Liu, Baijun; Men, Yongfeng; Zhang, Mingyao; Hu, Wei

2017-09-01

Highly sulfonated poly(ether ether ketone ketone)s (SFPEEKKs) with sulfonation degrees of 2.34 (SFPEEKK5) and 2.48 (SFPEEKK10) were synthesized through the direct sulfonation of a fluorene-containing poly(ether ether ketone ketone) under a relatively mild reaction condition. Using the solution blending method, sulfonated nanocrystal cellulose (sNCC)-enhanced SFPEEKK composites (SFPEEKK/sNCC) were successfully prepared for investigation as proton exchange membranes. Transmission electron microscopy showed that sNCC was uniformly distributed in the composite membranes. The properties of the composite membranes, including thermal stability, mechanical properties, water uptake, swelling ratio, oxidative stability and proton conductivity were thoroughly evaluated. Results indicated that the insertion of sNCC could contribute to water management and improve the mechanical performance of the membranes. Notably, the proton conductivity of SFPEEKK5/sNCC-5 was as high as 0.242 S cm-1 at 80 °C. All data proved the potential of SFPEEKK/sNCC composites for proton exchange membranes in medium-temperature fuel cells.

Development of Less Water-Dependent Radiation Grafted Proton Exchange Membranes for Fuel Cells

Energy Technology Data Exchange (ETDEWEB)

Nasef, M M; Ahmad, A; Saidi, H; Dahlan, K Z.M. [Institute of Hydrogen Economy, Energy Research Alliance (ERA), International Campus, Univeristi Teknologi Malaysia, Jalan Semarak, Kuala Lumpur (Malaysia); Radiation Processing Division, Malaysian Nuclear Agency, Bangi, Kajang (Malaysia)

2012-09-15

The aim of these studies was the development of proton exchange membranes for polymer electrolyte membrane (PEM) fuel cell operated above 100{sup o}C, in order to obtain less water dependent, high quality and cheap electrolyte membrane. Sulfonic acid membranes were prepared by radiation induced grafting (RIG) of sodium styrene sulfonate (SSS) onto electron beam (EB) irradiated poly(vinylidene fluoride) (PVDF) films in a single step reaction for the first time using synergetic effect of acid addition to grafting mixture under various grafting conditions. The fuel cell related properties of the membranes were evaluated and the in situ performance was tested in a single H{sub 2}/O{sub 2} fuel cell under dynamic conditions and compared with a similar sulfonated polystyrene PVDF membrane obtained by two-step conventional RIG method i.e. grafting of styrene and subsequent sulfonation. The newly obtained membrane (degree of grafting, G% = 53) showed an improved performance and higher stability together with a cost reduction mainly as a result of elimination of sulfonation reaction. Acid-base composite membranes were also studied. EB pre-irradiated poly(ethylene-co-tetrafluoroethylene) (ETFE) films were grafted with N-vinyl pyridine (NVP). The effects of monomer concentration, dose, reaction time, film thickness, temperature and film storage time on G% were investigated. The membranes were subsequently doped with phosphoric acid under controlled condition. The proton conductivity of these membranes was investigated under low water conditions in correlation with the variation in G% and temperature (30-130{sup o}C). The performance of 34 and 49% grafted and doped membranes was tested in a single fuel cell at 130{sup o}C under dynamic conditions with 146 and 127 mW/cm{sup 2} power densities. The polarization, power density characteristics and the initial stability of the membrane showed a promising electrolyte candidate for fuel cell operation above 100 deg. C. (author)

Correlation of the antimicrobial activity of salicylaldehydes with broadening of the NMR signal of the hydroxyl proton. Possible involvement of proton exchange processes in the antimicrobial activity.

Science.gov (United States)

Elo, Hannu; Kuure, Matti; Pelttari, Eila

2015-03-06

Certain substituted salicylaldehydes are potent antibacterial and antifungal agents and some of them merit consideration as potential chemotherapeutic agents against Candida infections, but their mechanism of action has remained obscure. We report here a distinct correlation between broadening of the NMR signal of the hydroxyl proton of salicylaldehydes and their activity against several types of bacteria and fungi. When proton NMR spectra of the compounds were determined using hexadeuterodimethylsulfoxide as solvent and the height of the OH proton signal was measured, using the signal of the aldehyde proton as an internal standard, it was discovered that a prerequisite of potent antimicrobial activity is that the proton signal is either unobservable or relatively very low, i.e. that it is extremely broadened. Thus, none of the congeners whose OH proton signal was high were potent antimicrobial agents. Some congeners that gave a very low OH signal were, however, essentially inactive against the microbes, indicating that although drastic broadening of the OH signal appears to be a prerequisite, also other (so far unknown) factors are needed for high antimicrobial activity. Because broadening of the hydroxyl proton signal is related to the speed of the proton exchange process(es) involving that proton, proton exchange may be involved in the mechanism of action of the compounds. Further studies are needed to analyze the relative importance of different factors (such as electronic effects, strength of the internal hydrogen bond, co-planarity of the ring and the formyl group) that determine the rates of those processes. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Simple descriptors for proton-conducting perovskites from density functional theory

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan

2010-01-01

series of (pseudo)cubic perovskites, ABO3, have been investigated using density functional theory calculations. The structures have been optimized and thermodynamic properties and activation energies for the relevant steps of the hydrogen/proton diffusion mechanism have been calculated using...... the nudged elastic band path technique. We find a strong correlation between the O-H binding energy for hydrogen/proton uptake in perovskites and the energy barriers involved in the observed Grotthuss-type diffusion process. We demonstrate the possibility of estimating diffusion rates based on O-H binding...

Process modeling of the impedance characteristics of proton exchange membrane fuel cells

International Nuclear Information System (INIS)

Rezaei Niya, Seyed Mohammad; Phillips, Ryan K.; Hoorfar, Mina

2016-01-01

Highlights: • The impedance of the PEM fuel cell is analytically calculated. • The measured impedances are presented for different operating conditions. • The high frequency arc in the measured Nyquist plot is related to the anode. • The intermediate frequency arc is related to the cathode. • The low frequency arc and high frequency resistance are related to the membrane. - Abstract: A complete process modeling of the impedance characteristics of the proton exchange membrane fuel cells is presented. The impedance of the cell is determined analytically and the resultant equivalent circuit is calculated. The model predictions are then compared against the measured impedances in different current densities, operating temperatures and anode and cathode relative humidities. It is shown that the model predicts the Nyquist plots in all different operating conditions extremely well. Next, the trends observed in the Nyquist plots reported in the literature are compared against the model predictions. The result of this comparison confirms the accuracy of the model. Using the verified model, various arcs in the Nyquist plots are separated and related to the fuel cell physical parameters.

Study of coupled heat and water transfer in proton exchange membrane fuel cells by the way of internal measurements

International Nuclear Information System (INIS)

Thomas, A; Maranzana, G; Didierjean, S; Dillet, J; Lottin, O

2012-01-01

Measurements of electrode temperatures within a proton exchange membrane fuel cell were performed using platinum wires. A temperature difference of 7°C between the electrodes and the bipolar plates was observed for a cell operating at a current density of 1.5 A.cm −2 . These measurements show a strong non-uniformity of the temperature profile through membrane electrode assembly (MEA) that future phenomenological models must take into account. In addition, the simultaneous measurements of heat and water flux through the MEA leads to the conclusion that produced water crosses the diffusion layer in vapor phase. A very simple heat transfer model is proposed.

Mathematical modeling of water mass balance for proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Wan Ramli Wan Daud; Kamaruzzaman Sopian; Jaafar Sahari; Nik Suhaimi Mat Hassan

2006-01-01

Gas and water management are key to achieving good performance from a proton exchange membrane fuel cell (PEMFC) stack. Water plays a critical role in PEMFC. The proton conductivity is increase with the water content. In order to achieve enough hydration, water is normally introduced into the cell externally by a variety of methods such as liquid injection, steam introduction, and humidification of reactants by passing them through humidifiers before entering the cell. In this paper, mathematical modeling of water mass balance for PEMFC at anode and cathode side are proposed by using external humidification and assume that steady state, constant pressure, constant temperature and gases distribution are uniform

Sulfonation of cPTFE Film grafted Styrene for Proton Exchange Membrane Fuel Cell

Directory of Open Access Journals (Sweden)

Yohan Yohan

2010-10-01

Full Text Available Sulfonation of γ-ray iradiated and styrene-grafted crosslinked polytetrafluoroethylene film (cPTFE-g-S film have been done. The aim of the research is to make hydropyl membrane as proton exchange membrane fuel cell. Sulfonation was prepared with chlorosulfonic acid in chloroethane under various conditions. The impact of the percent of grafting, the concentration of chlorosulfonic acid, the reaction time,and the reaction temperature on the properties of sulfonated film is examinated. The results show that sulfonation of surface-grafted films is incomplete at room  temperature. The increasing of concentration of chlorosulfonic acid and reaction temperature accelerates the reaction but they also add favor side reactions. These will lead to decreasing of the ion-exchange capacity, water uptake, and proton conductivity but increasing the resistance to oxidation in a perhidrol solution. The cPTFE-g-SS membrane which is resulted has stability in a H2O2 30% solution for 20 hours.

Proton exchange membrane fuel cells for space and electric vehicle applications: From basic research to technology development

Science.gov (United States)

Srinivasan, Supramaniam; Mukerjee, Sanjeev; Parthasarathy, A.; CesarFerreira, A.; Wakizoe, Masanobu; Rho, Yong Woo; Kim, Junbom; Mosdale, Renaut A.; Paetzold, Ronald F.; Lee, James

1994-01-01

The proton exchange membrane fuel cell (PEMFC) is one of the most promising electrochemical power sources for space and electric vehicle applications. The wide spectrum of R&D activities on PEMFC's, carried out in our Center from 1988 to date, is as follows (1) Electrode Kinetic and Electrocatalysis of Oxygen Reduction; (2) Optimization of Structures of Electrodes and of Membrane and Electrode Assemblies; (3) Selection and Evaluation of Advanced Proton Conducting Membranes and of Operating Conditions to Attain High Energy Efficiency; (4) Modeling Analysis of Fuel Cell Performance and of Thermal and Water Management; and (5) Engineering Design and Development of Multicell Stacks. The accomplishments on these tasks may be summarized as follows: (1) A microelectrode technique was developed to determine the electrode kinetic parameters for the fuel cell reactions and mass transport parameters for the H2 and O2 reactants in the proton conducting membrane. (2) High energy efficiencies and high power densities were demonstrated in PEMFCs with low platinum loading electrodes (0.4 mg/cm(exp 2) or less), advanced membranes and optimized structures of membrane and electrode assemblies, as well as operating conditions. (3) The modeling analyses revealed methods to minimize mass transport limitations, particularly with air as the cathodic reactant; and for efficient thermal and water management. (4) Work is in progress to develop multi-kilowatt stacks with the electrodes containing low platinum loadings.

Phosphoric acid doped imidazolium polysulfone membranes for high temperature proton exchange membrane fuel cells

DEFF Research Database (Denmark)

Yang, Jingshuai; Li, Qingfeng; Jensen, Jens Oluf

2012-01-01

A novel acid–base polymer membrane is prepared by doping of imidazolium polysulfone with phosphoric acid for high temperature proton exchange membrane fuel cells. Polysulfone is first chloromethylated, followed by functionalization of the chloromethylated polysulfone with alkyl imidazoles i.e. me...

Measurement of current distribution in a proton exchange membrane fuel cell with various flow arrangements – A parametric study

International Nuclear Information System (INIS)

Alaefour, Ibrahim; Karimi, G.; Jiao, Kui; Li, X.

2012-01-01

Highlights: ► Spatial local current distributions in a single PEMFC are measured. ► Effects of key operating conditions on the local current density are investigated. ► Increasing air and hydrogen stoichiometries improves local current density distributions. ► Operating pressure and temperature have negligible impact on local current distribution. - Abstract: Understanding of current distributions in proton exchange membrane fuel cells (PEMFCs) is crucial for designing cell components such as the flow field plates and the membrane electrode assembly (MEA). In this study, the spatial current density distributions in a single PEMFC with three serpentine flow channels are measured using a segmented bipolar plate and printed circuit board technique. The effects of key operating conditions such as stoichiometry ratios, inlet humidity levels, cell pressure and temperature on the local current density distributions for co-, counter-, and cross-flow arrangements are examined. It is observed that the local current density distribution over the MEA is directly affected by the cell operating conditions along with the configuration of the flow arrangement. It is also found that among the different flow configurations tested under the various operating conditions, the counter flow arrangement provides the optimum average current density and the lowest variations in the local current densities along the flow channels.

Two-Photon Exchange Effects in Elastic Electron-Proton Scattering

Energy Technology Data Exchange (ETDEWEB)

Johnson, Myriam James [Argonne National Lab. (ANL), Argonne, IL (United States)

2013-08-01

Two methods, Rosenbluth separation and polarization transfer, can be used to extract the proton form factor ratio μp G_Ep/G_Mp, but they do not yield the same results. It is thought that the disagreement is due to two photon exchange corrections to the differential cross sections. High precision proton Rosenbluth extractions were carried out at 102 kinematics points spanning 16 values of momentum transfer Q², from 0.40 to 5.76 GeV². Reduced cross sections were found to 1.1% or better for Q² less than 3 GeV² increasing to 4% at 5.76 GeV² The form factor ratios were determined to 1:5-3% for Q² < 1.5 GeV², increasing to 9% by 3 GeV² and rapidly above. Our data agrees with prior Rosenbluth, improving upon it the 1.0 - 2.0 GeV² range to conclusively show a separation from polarization transfer where it had not been certain before. In addition, reduced cross sections at each Q² were tested for nonlinearity in the angular variable. Such a departure from linearity would be a signature of two photon exchange effects, and prior data had not been sufficiently precise to show nonzero curvature. Our data begins to hint at negative curvature but does not yet show a significant departure from zero.

Numerical Studies of Electron Acceleration Behind Self-Modulating Proton Beam in Plasma with a Density Gradient

CERN Document Server

Petrenko, A.; Sosedkin, A.

2016-01-01

Presently available high-energy proton beams in circular accelerators carry enough momentum to accelerate high-intensity electron and positron beams to the TeV energy scale over several hundred meters of the plasma with a density of about 1e15 1/cm^3. However, the plasma wavelength at this density is 100-1000 times shorter than the typical longitudinal size of the high-energy proton beam. Therefore the self-modulation instability (SMI) of a long (~10 cm) proton beam in the plasma should be used to create the train of micro-bunches which would then drive the plasma wake resonantly. Changing the plasma density profile offers a simple way to control the development of the SMI and the acceleration of particles during this process. We present simulations of the possible use of a plasma density gradient as a way to control the acceleration of the electron beam during the development of the SMI of a 400 GeV proton beam in a 10 m long plasma. This work is done in the context of the AWAKE project --- the proof-of-prin...

Extraction of the gluon density of the proton at small χ

International Nuclear Information System (INIS)

Derrick, M.; Krakauer, D.; Magill, S.

1994-10-01

The gluon momentum density xg(x, Q 2 ) of the proton was extracted at Q 2 =20 GeV 2 for small values of x between 4x10 -4 and 10 -2 from the scaling violations of the proton structure function F 2 measured recently by ZEUS in deep inelastic neutral current ep scattering at HERA. The extraction was performed in two ways. Firstly, using a global NLO fit to the ZEUS data on F 2 at low x constrained by measurements from NMC at larger x; and secondly using published approximate methods for the solution of the GLAP QCD evolution equations. Consistent results are obtained. A substantial increase of the gluon density is found at small x in comparison with the NMC result obtained at larger values of x. (orig.)

Proton Exchange Membrane Fuel Cells Applied for Transport Sector

DEFF Research Database (Denmark)

Hosseinzadeh, Elham; Rokni, Masoud

2010-01-01

A thermodynamic analysis of a PEMFC (proton exchange membrane fuel cell) is investigated. PEMFC may be the most promising technology for fuel cell automotive systems, which is operating at quite low temperatures, (between 60 to 80℃). In this study the fuel cell motive power part of a lift truck has...... been investigated. The fuel cell stack used in this model is developed using a Ballard PEMFC [1], so that the equations used in the stack modeling are derived from the experimental data. The stack can produce 3 to 15 kilowatt electricity depending on the number of cells used in the stack. Some...

Low stoichiometry operation of a proton exchange membrane fuel cell employing the interdigitated flow field

DEFF Research Database (Denmark)

Berning, Torsten; Kær, Søren Knudsen

2012-01-01

A multiphase fuel cell model based on computational fluid dynamics is used to investigate the possibility of operating a proton exchange membrane fuel cell at low stoichiometric flow ratios (ξ gases. A case study...

Review of low pressure plasma processing of proton exchange membrane fuel cell electrocatalysts

OpenAIRE

Brault , Pascal

2016-01-01

Review article; International audience; The present review is describing recent advances in plasma deposition and treatment of low temperature proton exchange membrane fuel cells electrocatalysts. Interest of plasma processing for growth of platinum based, non-precious and metal free electrocatalysts is highlighted. Electrocatalysts properties are tentatively correlated to plasma parameters.

Multiphase Simulations and Design of Validation Experiments for Proton Exchange Membrane Fuel Cells

DEFF Research Database (Denmark)

Berning, Torsten

2013-01-01

Proton exchange membrane fuel cells directly convert into electricity the chemical energy of hydrogen and oxygen from air. The by-products are just water and waste heat. Depending on the operating conditions the water may be in the liquid or gas phase, and liquid water can hence plug the porous m...

Comparison of platinum/MWCNTs Nanocatalysts Synthesis Processes for Proton Exchange Membrane Fuel Cells

Science.gov (United States)

Liu, Xuan

Due to the growing concerns on the depletion of petroleum based energy resources and climate change; fuel cell technologies have received much attention in recent years. Proton exchange membrane fuel cell (PEMFCs) features high energy conversion efficiency and nearly zero greenhouse gas emissions, because of its combination of the hydrogen oxidation reaction (HOR) at anode side and oxygen reduction reaction (ORR) at cathode side. Synthesis of Pt nanoparticles supported on multi walled carbon nanotubes (MWCNTs) possess a highly durable electrochemical surface area (ESA) and show good power output on proton exchange membrane (PEM) fuel cell performance. Platinum on multi-walled carbon nanotubes (MWCNTs) support were synthesized by two different processes to transfer PtCl62- from aqueous to organic phase. While the first method of Pt/MWCNTs synthesis involved dodecane thiol (DDT) and octadecane thiol (ODT) as anchoring agent, the second method used ammonium lauryl sulfate (ALS) as the dispersion/anchoring agent. The particle size and distribution of platinum were examined by high-resolution transmission electron microscope (HRTEM). The TEM images showed homogenous distribution and uniform particle size of platinum deposited on the surface of MWCNTs. The single cell fuel cell performance of the Pt/MWCNTs synthesized thiols and ALS based electrode containing 0.2 (anode) and 0.4 mg (cathode) Pt.cm-2 were evaluated using Nafion-212 electrolyte with H2 and O2 gases at 80 °C and ambient pressure. The catalyst synthesis with ALS is relatively simple compared to that with thiols and also showed higher performance (power density reaches about 1070 mW.cm -2). The Electrodes with Pt/MWCNTs nanocatalysts synthesized using ALS were characterized by cyclic voltammetry (CV) for durability evaluation using humidified H2 and N2 gases at room temperature (21 °C) along with commercial Pt/C for comparison. The ESA measured by cyclic voltammetry between 0.15 and 1.2 V showed significant

Dynamics of laser-driven proton beam focusing and transport into solid density matter

Science.gov (United States)

Kim, J.; McGuffey, C.; Beg, F.; Wei, M.; Mariscal, D.; Chen, S.; Fuchs, J.

2016-10-01

Isochoric heating and local energy deposition capabilities make intense proton beams appealing for studying high energy density physics and the Fast Ignition of inertial confinement fusion. To study proton beam focusing that results in high beam density, experiments have been conducted using different target geometries irradiated by a kilojoule, 10 ps pulse of the OMEGA EP laser. The beam focus was measured by imaging beam-induced Cu K-alpha emission on a Cu foil that was positioned at a fixed distance. Compared to a free target, structured targets having shapes of wedge and cone show a brighter and narrower K-alpha radiation emission spot on a Cu foil indicating higher beam focusability. Experimentally observed images with proton radiography demonstrate the existence of transverse fields on the structures. Full-scale simulations including the contribution of a long pulse duration of the laser confirm that such fields can be caused by hot electrons moving through the structures. The simulated fields are strong enough to reflect the diverging main proton beam and pinch a transverse probe beam. Detailed simulation results including the beam focusing and transport of the focused intense proton beam in Cu foil will be presented. This work was supported by the National Laser User Facility Program through Award DE-NA0002034.

In-situ monitoring of internal local temperature and voltage of proton exchange membrane fuel cells.

Science.gov (United States)

Lee, Chi-Yuan; Fan, Wei-Yuan; Hsieh, Wei-Jung

2010-01-01

The distribution of temperature and voltage of a fuel cell are key factors that influence performance. Conventional sensors are normally large, and are also useful only for making external measurements of fuel cells. Centimeter-scale sensors for making invasive measurements are frequently unable to accurately measure the interior changes of a fuel cell. This work focuses mainly on fabricating flexible multi-functional microsensors (for temperature and voltage) to measure variations in the local temperature and voltage of proton exchange membrane fuel cells (PEMFC) that are based on micro-electro-mechanical systems (MEMS). The power density at 0.5 V without a sensor is 450 mW/cm(2), and that with a sensor is 426 mW/cm(2). Since the reaction area of a fuel cell with a sensor is approximately 12% smaller than that without a sensor, but the performance of the former is only 5% worse.

Anode partial flooding modelling of proton exchange membrane fuel cells: Model development and validation

International Nuclear Information System (INIS)

Xing, Lei; Du, Shangfeng; Chen, Rui; Mamlouk, Mohamed; Scott, Keith

2016-01-01

A two-dimensional along-the-channel CFD (computational fluid dynamic) model, coupled with a two-phase flow model of liquid water and gas transport for a PEM (proton exchange membrane) fuel cell is described. The model considers non-isothermal operation and thus the non-uniform temperature distribution in the cell structure. Water phase-transfer between the vapour, liquid water and dissolved phase is modelled with the combinational transport mechanism through the membrane. Liquid water saturation is simulated inside the electrodes and channels at both the anode and cathode sides. Three types of models are compared for the HOR (hydrogen oxidation reaction) and ORR (oxygen reduction reaction) in catalyst layers, including Butler–Volmer (B–V), liquid water saturation corrected B–V and agglomerate mechanisms. Temperature changes in MEA (membrane electrode assembly) and channels due to electrochemical reaction, ohmic resistance and water phase-transfer are analysed as a function of current density. Nonlinear relations of liquid water saturations with respect to current densities at both the anode and cathode are regressed. At low and high current densities, liquid water saturation at the anode linearly increases as a consequence of the linear increase of liquid water saturation at the cathode. In contrast, exponential relation is found to be more accurate at medium current densities. - Highlights: • A fully coupled 2D, along-the-channel, two-phase flow, non-isothermal, CFD model is developed. • Temperature rise due to electrochemical reactions, ohmic resistance and water phase-transfer is analysed. • Mathematical expressions of liquid water saturation against current density at anode and cathode are regressed. • Relationship between the liquid water saturation at anode and cathode is built.

Parametric analysis of an irreversible proton exchange membrane fuel cell/absorption refrigerator hybrid system

International Nuclear Information System (INIS)

Yang, Puqing; Zhang, Houcheng

2015-01-01

A hybrid system mainly consisting of a PEMFC (proton exchange membrane fuel cell) and an absorption refrigerator is proposed, where the PEMFC directly converts the chemical energy contained in the hydrogen into electrical and thermal energies, and the thermal energy is transferred to drive the bottoming absorption refrigerator for cooling purpose. By considering the existing irreversible losses in the hybrid system, the operating current density region of the PEMFC permits the absorption refrigerator to exert its function is determined and the analytical expressions for the equivalent power output and efficiency of the hybrid system under different operating conditions are specified. Numerical calculations show that the equivalent maximum power density and the corresponding efficiency of the hybrid system can be respectively increased by 5.3% and 6.8% compared to that of the stand-alone PEMFC. Comprehensive parametric analyses are conducted to reveal the effects of the internal irreversibility of the absorption refrigerator, operating current density, operating temperature and operating pressure of the PEMFC, and some integrated parameters related to the thermodynamic losses on the performance of the hybrid system. The model presented in the paper is more general than previous study, and the results for some special cases can be directly derived from this paper. - Highlights: • A CHP system composed of a PEMFC and an absorption refrigerator is proposed. • Current density region enables the absorption refrigerator to work is determined. • Multiple irreversible losses in the system are analytically characterized. • Maximum power density and corresponding efficiency can be increased by 5.3% and 6.8%. • Effects of some designing and operating parameters on the performance are discussed

Modeling two-phase flow in three-dimensional complex flow-fields of proton exchange membrane fuel cells

Science.gov (United States)

Kim, Jinyong; Luo, Gang; Wang, Chao-Yang

2017-10-01

3D fine-mesh flow-fields recently developed by Toyota Mirai improved water management and mass transport in proton exchange membrane (PEM) fuel cell stacks, suggesting their potential value for robust and high-power PEM fuel cell stack performance. In such complex flow-fields, Forchheimer's inertial effect is dominant at high current density. In this work, a two-phase flow model of 3D complex flow-fields of PEMFCs is developed by accounting for Forchheimer's inertial effect, for the first time, to elucidate the underlying mechanism of liquid water behavior and mass transport inside 3D complex flow-fields and their adjacent gas diffusion layers (GDL). It is found that Forchheimer's inertial effect enhances liquid water removal from flow-fields and adds additional flow resistance around baffles, which improves interfacial liquid water and mass transport. As a result, substantial improvements in high current density cell performance and operational stability are expected in PEMFCs with 3D complex flow-fields, compared to PEMFCs with conventional flow-fields. Higher current density operation required to further reduce PEMFC stack cost per kW in the future will necessitate optimizing complex flow-field designs using the present model, in order to efficiently remove a large amount of product water and hence minimize the mass transport voltage loss.

Construction and evaluation of a proton exchange fuel cell

International Nuclear Information System (INIS)

Gutierrez, Omar; Monsalve, Carlos; Trujillo, Gonzalo; Hoyos, Bibian; Sanchez, Carlos; Gonzalez, Javier

2005-01-01

One design of a hydrogen proton exchange membrane fuel cell (PEMFC) is proposed. Porous carbon supported platinum electrodes were manufactured by impregnation, reduction and hot-press methods; noble metal loading of 0.4 mg/cm 2 was achieved. The conditions to obtain the porous support were: composition of 15 % Teflon and 85 % carbon, pressure of 100 Kgf/cm 2 , temperature of 300 Celsius degrade and 20 minutes of hot-pressing. The pattern of gas flow distribution was made possible by machined interdigitated channels into conductor graphite plates. Several tests were run varying the load resistance to obtain the polarization curves. Comparison with a commercial PEMFC is also made

Anhydrous proton exchange membrane of sulfonated poly(ether ether ketone) enabled by polydopamine-modified silica nanoparticles

International Nuclear Information System (INIS)

Wang, Jingtao; Bai, Huijuan; Zhang, Haoqin; Zhao, Liping; Chen, Huiling; Li, Yifan

2015-01-01

Highlights: • The concept of acid/base pairs was employed to design anhydrous PEMs. • Polydopamine-modified silica particles were uniformly dispersed in SPEEK membrane. • The membranes displayed enhancement in both stability and anhydrous proton conductivity. - Abstract: Novel anhydrous proton exchange membrane is (PEM) facilely prepared by embedding dopamine-modified silica nanoparticles (DSiOis 2 ) into sulfonated poly (ether ether ketone) (SPEEK) polymer matrix. DSiO 2 bearing -NH 2 /-NH- groups are synthesized inspired by the bioadhesion principle, which are uniformly dispersed within SPEEK membrane due to the good interfacial compatibility. The interfacial electrostatic attractions render unique rearrangement of the nanophase-separated structure and the chain packing of the resultant hybrid membranes. As a result, the thermal and mechanical stabilities as well as structural stability of the hybrid membranes are enhanced when compared to SPEEK control membrane. On the other hand, induced by the attractions, acid–base pairs are formed at the SPEEK/DSiOarewere 2 interface, where fast proton transfer via Grotthuss mechanism is expected. These features confer much higher proton conductivities on the DSiO 2 -filled membranes under both hydrated and anhydrous conditions, compared to those of the SPEEK control membrane and SiO 2 -filled membranes. Particularly, the hybrid membrane with 15 wt% DSiO 2 achieve the highest conductivities of 4.52achieveachieved × 10 −3 S cm −1 at 120 °C under anhydrous condition, which is much higher than the SPEEK control membrane and the commercial Nafion membrane (0.1iswas × 10 −3 S cm −1 ). The membrane with 9 wt% DSiO 2 show an open cell potential of 0.98showshowed V and an optimum power density of 111.7 mW cm −2 , indicative of its potential application in fuel cell under anhydrous condition

THE USE OF CHLOROSULFONIC ACID ON SULFONATION OF cPTFE FILM GRAFTED STYRENE FOR PROTON EXCHANGE MEMBRANE

Directory of Open Access Journals (Sweden)

Yohan Yohan

2010-06-01

Full Text Available Sulfonation of g-ray iradiated and styrene-grafted crosslinked polytetrafluoro ethylene film (cPTFE-g-S film have been done. The aim of the research was to make hydrophyl membrane as proton exchange membrane fuel cell. Sulfonation was prepared by using chlorosulfonic acid in chloroethane under various conditions. The impact of the percentage of grafting, the concentration of chlorosulfonic acid, the reaction time,and the reaction temperature on the properties of sulfonated film were examined. The results show that sulfonation of surface-grafted films was incomplete at room temperature. Increasing concentration of chlorosulfonic acid and reaction temperature accelerate the reaction but they also favor side reactions. These lead to the decrease of the ion-exchange capacity, water uptake, and proton conductivity but the increase of the resistance to oxidation in a perhydrol solution. The resulted cPTFE-g-SS membraneis stabile in a H2O2 30% solution for 20 h.   Keywords: Chorosulfonic acid, sulfonation, PTFE film, proton excange membrane.

Kohn–Sham exchange-correlation potentials from second-order reduced density matrices

Energy Technology Data Exchange (ETDEWEB)

Cuevas-Saavedra, Rogelio; Staroverov, Viktor N., E-mail: vstarove@uwo.ca [Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7 (Canada); Ayers, Paul W. [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada)

2015-12-28

We describe a practical algorithm for constructing the Kohn–Sham exchange-correlation potential corresponding to a given second-order reduced density matrix. Unlike conventional Kohn–Sham inversion methods in which such potentials are extracted from ground-state electron densities, the proposed technique delivers unambiguous results in finite basis sets. The approach can also be used to separate approximately the exchange and correlation potentials for a many-electron system for which the reduced density matrix is known. The algorithm is implemented for configuration-interaction wave functions and its performance is illustrated with numerical examples.

An Investigation of Proton Conductivity of Vinyltriazole-Grafted PVDF Proton Exchange Membranes Prepared via Photoinduced Grafting

Directory of Open Access Journals (Sweden)

Sinan Sezgin

2014-01-01

Full Text Available Proton exchange membrane fuel cells (PEMFCs are considered to be a promising technology for clean and efficient power generation in the twenty-first century. In this study, high performance of poly(vinylidene fluoride (PVDF and proton conductivity of poly(1-vinyl-1,2,4-triazole (PVTri were combined in a graft copolymer, PVDF-g-PVTri, by the polymerization of 1-vinyl-1,2,4-triazole on a PVDF based matrix under UV light in one step. The polymers were doped with triflic acid (TA at different stoichiometric ratios with respect to triazole units and the anhydrous polymer electrolyte membranes were prepared. All samples were characterized by FTIR and 1H-NMR spectroscopies. Their thermal properties were examined by thermogravimetric analysis (TGA and differential scanning calorimetry (DSC. TGA demonstrated that the PVDF-g-PVTri and PVDF-g-PVTri-(TAx membranes were thermally stable up to 390°C and 330°C, respectively. NMR and energy dispersive X-ray spectroscopy (EDS results demonstrated that PVDF-g-PVTri was successfully synthesized with a degree of grafting of 21%. PVDF-g-PVTri-(TA3 showed a maximum proton conductivity of 6×10-3 Scm−1 at 150°C and anhydrous conditions. CV study illustrated that electrochemical stability domain for PVDF-g-PVTri-(TA3 extended over 4.0 V.

Novel proton exchange membranes based on structure-optimized poly(ether ether ketone ketone)s and nanocrystalline cellulose

Science.gov (United States)

Ni, Chuangjiang; Wei, Yingcong; Zhao, Qi; Liu, Baijun; Sun, Zhaoyan; Gu, Yan; Zhang, Mingyao; Hu, Wei

2018-03-01

Two sulfonated fluorenyl-containing poly(ether ether ketone ketone)s (SFPEEKKs) were synthesized as the matrix of composite proton exchange membranes by directly sulfonating copolymer precursors comprising non-sulfonatable fluorinated segments and sulfonatable fluorenyl-containing segments. Surface-modified nanocrystalline cellulose (NCC) was produced as the "performance-enhancing" filler by treating the microcrystalline cellulose with acid. Two families of SFPEEKK/NCC nanocomposite membranes with various NCC contents were prepared via a solution-casting procedure. Results revealed that the insertion of NCC at a suitable ratio could greatly enhance the proton conductivity of the pristine membranes. For example, the proton conductivity of SFPEEKK-60/NCC-4 (SFPEEKK with 60% fluorenyl segments in the repeating unit, and inserted with 4% NCC) composite membrane was as high as 0.245 S cm-1 at 90 °C, which was 61.2% higher than that of the corresponding pure SFPEEKK-60 membrane. This effect could be attributed to the formation of hydrogen bond networks and proton conduction paths through the interaction between -SO3H/-OH groups on the surface of NCC particles and -SO3H groups on the SFPEEKK backbones. Furthermore, the chemically modified NCC filler and the optimized chemical structure of the SFPEEKK matrix also provided good dimensional stability and mechanical properties of the obtained nanocomposites. In conclusion, these novel nanocomposites can be promising proton exchange membranes for fuel cells at moderate temperatures.

Reaction cross sections for 8He and 14B on proton target for the separation of proton and neutron density distributions

International Nuclear Information System (INIS)

Tanaka, Masaomi; Fukuda, Mitsunori; Nishimura, Daiki

2015-01-01

We utilized the proton-neutron asymmetry of nucleon–nucleon total cross sections in the intermediate energy region (σ pn ≠σ pp(nn) ) to obtain the information of proton and neutron distributions respectively. We have measured reaction cross sections (σ R ) for 14 B and 8 He on proton targets as isospin asymmetric targets in addition to symmetric ones. Proton and neutron density distributions were derived respectively through the χ 2 -fitting procedure with the modified Glauber calculation. The result suggests a necessity for 14 B of a long tail, and also a necessity for 8 He of a neutron tail. Root-mean-square proton, neutron and matter radii for 14 B and 8 He are also derived. Each radius is consistent with some of the other experimental values and also with some of the several theoretical values. (author)

Helium Ion Microscopy of proton exchange membrane fuel cell electrode structures

DEFF Research Database (Denmark)

Chiriaev, Serguei; Dam Madsen, Nis; Rubahn, Horst-Günter

2017-01-01

electrode interface structure dependence on ionomer content, systematically studied by Helium Ion Microscopy (HIM). A special focus was on acquiring high resolution images of the electrode structure and avoiding interface damage from irradiation and tedious sample preparation. HIM demonstrated its....... In the hot-pressed electrodes, we found more closed contact between the electrode components, reduced particle size, polymer coalescence and formation of nano-sized polymer fiber architecture between the particles. Keywords: proton exchange membrane fuel cells (PEMFCs); Helium Ion Microscopy (HIM...

Flow field optimization for proton exchange membrane fuel cells with varying channel heights and widths

International Nuclear Information System (INIS)

Wang Xiaodong; Huang Yuxian; Cheng, C.-H.; Jang, J.-Y.; Lee, D.-J.; Yan, W.-M.; Su Ay

2009-01-01

The optimal cathode flow field design of a single serpentine proton exchange membrane fuel cell is obtained by adopting a combined optimization procedure including a simplified conjugate-gradient method (SCGM) and a completely three-dimensional, two-phase, non-isothermal fuel cell model. The cell output power density P cell is the objective function to be maximized with channel heights, H 1 -H 5 , and channel widths, W 2 -W 5 as search variables. The optimal design has tapered channels 1, 3 and 4, and diverging channels 2 and 5, producing 22.51% increment compared with the basic design with all heights and widths setting as 1 mm. Reduced channel heights of channels 2-4 significantly enhance sub-rib convection to effectively transport oxygen to and liquid water out of diffusion layer. The final diverging channel prevents significant leakage of fuel to outlet via sub-rib convection from channel 4. Near-optimal design without huge loss in cell performance but is easily manufactured is discussed.

In-situ Monitoring of Internal Local Temperature and Voltage of Proton Exchange Membrane Fuel Cells

Directory of Open Access Journals (Sweden)

Chi-Yuan Lee

2010-06-01

Full Text Available The distribution of temperature and voltage of a fuel cell are key factors that influence performance. Conventional sensors are normally large, and are also useful only for making external measurements of fuel cells. Centimeter-scale sensors for making invasive measurements are frequently unable to accurately measure the interior changes of a fuel cell. This work focuses mainly on fabricating flexible multi-functional microsensors (for temperature and voltage to measure variations in the local temperature and voltage of proton exchange membrane fuel cells (PEMFC that are based on micro-electro-mechanical systems (MEMS. The power density at 0.5 V without a sensor is 450 mW/cm2, and that with a sensor is 426 mW/cm2. Since the reaction area of a fuel cell with a sensor is approximately 12% smaller than that without a sensor, but the performance of the former is only 5% worse.

Towards improved local hybrid functionals by calibration of exchange-energy densities

International Nuclear Information System (INIS)

Arbuznikov, Alexei V.; Kaupp, Martin

2014-01-01

A new approach for the calibration of (semi-)local and exact exchange-energy densities in the context of local hybrid functionals is reported. The calibration functions are derived from only the electron density and its spatial derivatives, avoiding spatial derivatives of the exact-exchange energy density or other computationally unfavorable contributions. The calibration functions fulfill the seven more important out of nine known exact constraints. It is shown that calibration improves substantially the definition of a non-dynamical correlation energy term for generalized gradient approximation (GGA)-based local hybrids. Moreover, gauge artifacts in the potential-energy curves of noble-gas dimers may be corrected by calibration. The developed calibration functions are then evaluated for a large range of energy-related properties (atomization energies, reaction barriers, ionization potentials, electron affinities, and total atomic energies) of three sets of local hybrids, using a simple one-parameter local-mixing. The functionals are based on (a) local spin-density approximation (LSDA) or (b) Perdew-Burke-Ernzerhof (PBE) exchange and correlation, and on (c) Becke-88 (B88) exchange and Lee-Yang-Parr (LYP) correlation. While the uncalibrated GGA-based functionals usually provide very poor thermochemical data, calibration allows a dramatic improvement, accompanied by only a small deterioration of reaction barriers. In particular, an optimized BLYP-based local-hybrid functional has been found that is a substantial improvement over the underlying global hybrids, as well as over previously reported LSDA-based local hybrids. It is expected that the present calibration approach will pave the way towards new generations of more accurate hyper-GGA functionals based on a local mixing of exchange-energy densities

Epoxides cross-linked hexafluoropropylidene polybenzimidazole membranes for application as high temperature proton exchange membranes

International Nuclear Information System (INIS)

Yang, Jingshuai; Xu, Yixin; Liu, Peipei; Gao, Liping; Che, Quantong; He, Ronghuan

2015-01-01

Covalently cross-linked hexafluoropropylidene polybenzimidazole (F 6 PBI) was prepared and used to fabricate high temperature proton exchange membranes with enhanced mechanical strength against thermoplastic distortion. Three different epoxides, i.e. bisphenol A diglycidyl ether (R 1 ), bisphenol A propoxylate diglycidyl ether (R 2 ) and poly(ethylene glycol) diglycidyl ether (R 3 ), were chosen as the cross-linkers to investigate the influence of their structures on the properties of the cross-linked F 6 PBI membranes. All the cross-linked F 6 PBI membranes displayed excellent stability towards the radical oxidation. Comparing with the pure F 6 PBI membrane, the cross-linked F 6 PBI membranes showed high acid doping level but less swelling after doping phosphoric acid at elevated temperatures. The mechanical strength at 130 °C was improved from 0.4 MPa for F 6 PBI membrane to a range of 0.8–2.0 MPa for the cross-linked F 6 PBI membranes with an acid doping level as high as around 14, especially for that crosslinking with the epoxide (R 3 ), which has a long linear structure of alkyl ether. The proton conductivity of the cross-linked membranes was increased accordingly due to the high acid doping levels. Fuel cell tests demonstrated the technical feasibility of the acid doped cross-linked F 6 PBI membranes for high temperature proton exchange membrane fuel cells

Internal humidifying of PEM [Proton Exchange Membrane] fuel cells

Energy Technology Data Exchange (ETDEWEB)

Staschewski, D [Karlsruhe Research Center (FZK), Karlsruhe (Germany). Inst. for Neutron Physics and Reactor Technics

1996-12-01

Hydrogen fuel cells (FC) for vehicular traction should stand out for a car-specific lightweight design. As regards PEMFC systems containing proton exchange membranes, this quality can be considerably improved by introducing porous bipolar plates which are conditioned by a water loop and deliver hot humidifying water to the adjacent membrane-electrode assembly (MEA). According to the principle of internal humidification here indicated special fuel cells based on sintered fiber and powder graphite were manufactured at FZK on a semi-technical scale. Self-made Pt/C electrodes hotpressed onto Nafion resulted in currents up to 200 A with pure oxygen as oxidant, providing the precondition for detailed studies of turnover and drainage rates within a monocell test arrangement. (author)

ψ (2 S ) versus J /ψ suppression in proton-nucleus collisions from factorization violating soft color exchanges

Science.gov (United States)

Ma, Yan-Qing; Venugopalan, Raju; Watanabe, Kazuhiro; Zhang, Hong-Fei

2018-01-01

We argue that the large suppression of the ψ (2 S ) inclusive cross section relative to the J /ψ inclusive cross section in proton-nucleus (p+A) collisions can be attributed to factorization breaking effects in the formation of quarkonium. These factorization breaking effects arise from soft color exchanges between charm-anticharm pairs undergoing hadronization and comoving partons that are long lived on time scales of quarkonium formation. We compute the short distance pair production of heavy quarks in the color glass condensate (CGC) effective field theory and employ an improved color evaporation model (ICEM) to describe their hadronization into quarkonium at large distances. The combined CGC+ICEM model provides a quantitative description of J /ψ and ψ (2 S ) data in proton-proton (p+p) collisions from both RHIC and the LHC. Factorization breaking effects in hadronization, due to additional parton comovers in the nucleus, are introduced heuristically by imposing a cutoff Λ , representing the average momentum kick from soft color exchanges, in the ICEM. Such soft exchanges have no perceptible effect on J /ψ suppression in p+A collisions. In contrast, the interplay of the physics of these soft exchanges at large distances, with the physics of semihard rescattering at short distances, causes a significant additional suppression of ψ (2 S ) yields relative to that of the J /ψ . A good fit of all RHIC and LHC J /ψ and ψ (2 S ) data, for transverse momenta P⊥≤5 GeV in p+p and p+A collisions, is obtained for Λ ˜10 MeV.

Optimization of 7-T Chemical Exchange Saturation Transfer Parameters for Validation of Glycosaminoglycan and Amide Proton Transfer of Fibroglandular Breast Tissue

NARCIS (Netherlands)

Dula, Adrienne N.; Dewey, Blake E.; Arlinghaus, Lori R.; Williams, Jason M.; Klomp, DWJ; Yankeelov, Thomas E.; Smith, Seth

Purpose: To (a) implement simulation-optimized chemical exchange saturation transfer (CEST) measurements sensitive to amide proton transfer (APT) and glycosaminoglycan (GAG) hydroxyl proton transfer effects in the human breast at 7 T and (b) determine the reliability of these techniques for

Performance evaluation of an air-breathing high-temperature proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Wu, Qixing; Li, Haiyang; Yuan, Wenxiang; Luo, Zhongkuan; Wang, Fang; Sun, Hongyuan; Zhao, Xuxin; Fu, Huide

2015-01-01

Highlights: • An air-breathing HT-PEMFC was designed and evaluated experimentally. • The peak power density of the air-breathing HT-PEMFC was 220.5 mW cm"−"2 at 200 °C. • Break-in behavior and effects of temperature and anodic stoichiometry were studied. • The effect of cell orientations on the performance was investigated. • The degradation rate of the air-breathing HT-PEMFC was around 58.32 μV h"−"1. - Abstract: The air-breathing proton exchange membrane fuel cell (PEMFC) is of great interest in mobile power sources because of its simple system design and low parasitic power consumption. Different from previous low-temperature air-breathing PEMFCs, a high-temperature PEMFC with a phosphoric acid doped polybenzimidazole (PBI) membrane as the polymer electrolyte is designed and investigated under air-breathing conditions. The preliminary results show that a peak power density of 220.5 mW cm"−"2 at 200 °C can be achieved without employing any water managements, which is comparable to those with conventional Nafion® membranes operated at low temperatures. In addition, it is found that with the present cell design, the limiting current density arising from the oxygen transfer limitation is around 700 mA cm"−"2 even at 200 °C. The short-term durability test at 200 mA cm"−"2 and 180 °C reveals that all the cells exhibit a gradual decrease in the voltage along with a rise in the internal resistance. The degradation rate of continuous operation is around 58.32 μV h"−"1, which is much smaller than those of start/stop cycling operations.

Delayed Proton Emission in the A=70 Region, a Strobe for Level Density and Particle Width

CERN Multimedia

2002-01-01

The delayed particle emission, which is a characteristic signature of the most exotic nuclei decay, provides a wide variety of spectroscopic information among which level density, and gives in some cases access to selected microscopic structures. In regard to these two aspects the $\\beta^+$-EC delayed proton emission in the A=70 neutron deficient mass region is of special interest to be investigated. Indeed, in this area located close to the proton drip line and along the N=Z line, the delayed proton emission constitutes an access to level density in the Q$_{EC}$-S$_p$ window of the emitting nucleus. Moreover, the unbound states populated by the EC process are expected to exhibit lifetimes in the vicinity of the K electronic shell filling time ($\\tau\\!\\sim\\!2\\times10^{-16}$s) and so the particle widths can be reached via proton X-ray coincidence measurements (PXCT). From theoretical approaches strongly deformed low-spin proton unbound levels which may be populated in the T$_Z$ = 1/2 precursors decay are predi...

Source-Free Exchange-Correlation Magnetic Fields in Density Functional Theory.

Science.gov (United States)

Sharma, S; Gross, E K U; Sanna, A; Dewhurst, J K

2018-03-13

Spin-dependent exchange-correlation energy functionals in use today depend on the charge density and the magnetization density: E xc [ρ, m]. However, it is also correct to define the functional in terms of the curl of m for physical external fields: E xc [ρ,∇ × m]. The exchange-correlation magnetic field, B xc , then becomes source-free. We study this variation of the theory by uniquely removing the source term from local and generalized gradient approximations to the functional. By doing so, the total Kohn-Sham moments are improved for a wide range of materials for both functionals. Significantly, the moments for the pnictides are now in good agreement with experiment. This source-free method is simple to implement in all existing density functional theory codes.

The mass balance of a Proton Exchange Membrane Fuel Cell (PEMFC)

International Nuclear Information System (INIS)

Miloud, S.; Kamaruzzaman Sopian; Wan Ramli Wan Daud

2006-01-01

A Proton Exchange Membrane Fuel Cell (PEMFC), operating at low temperature uses a simple chemical process to combine hydrogen and oxygen into water, producing electric current and heat during the electrochemical reaction. This work concern on the theoretical consideration of the mass balance has been evaluated to predict the mass flow rate of the both gases (hydrogen/oxygen), the water mass balance, and the heat transfer in order to design a single cell PEMFC stack with a better flow field distributor on the performance of Polymer Electrolyte membrane fuel cells

Chemical bond as a test of density-gradient expansions for kinetic and exchange energies

International Nuclear Information System (INIS)

Perdew, J.P.; Levy, M.; Painter, G.S.; Wei, S.; Lagowski, J.B.

1988-01-01

Errors in kinetic and exchange contributions to the molecular bonding energy are assessed for approximate density functionals by reference to near-exact Hartree-Fock values. From the molecular calculations of Allan et al. and of Lee and Ghosh, it is demonstrated that the density-gradient expansion does not accurately describe the noninteracting kinetic contribution to the bonding energy, even when this expansion is carried to fourth order and applied in its spin-density-functional form to accurate Hartree-Fock densities. In a related study, it is demonstrated that the overbinding of molecules such as N 2 and F 2 , which occurs in the local-spin-density (LSD) approximation for the exchange-correlation energy, is not attributable to errors in the self-consistent LSD densities. Contrary to expectations based upon the Gunnarsson-Jones nodality argument, it is found that the LSD approximation for the exchange energy can seriously overbind a molecule even when bonding does not create additional nodes in the occupied valence orbitals. LSD and exact values for the exchange contribution to the bonding energy are displayed and discussed for several molecules

Novel membranes for proton exchange membrane fuel cell operation above 120°C. Final report for period October 1, 1998 to December 31, 1999

Energy Technology Data Exchange (ETDEWEB)

Srinivasan, Supramaniam [Princeton Univ., NJ (United States); Lee, Seung-Jae [Princeton Univ., NJ (United States); Costamagna, Paola [Princeton Univ., NJ (United States); Yang, Christopher [Princeton Univ., NJ (United States); Adjemian, Kevork [Princeton Univ., NJ (United States); Bocarsly, Andrew [Princeton Univ., NJ (United States); Ogden, Joan M. [Princeton Univ., NJ (United States); Benziger, Jay [Princeton Univ., NJ (United States)

2000-05-01

In this project we investigated the experimental performance of three new classes of membranes, composites of perfluorosulfonic acid polymers with heteropolyacides, hydrated oxides and fast proton conducting glasses, which are promising candidates as electrolytes for proton exchange membrane fuel cells (PEMFCs), capable of operation at temperatures above 120°C. The motivations for PEMFC's operation at this temperature are to: 1) minimize the CO poisoning problem (adsorption of CO onto the platinum catalyst is greatly reduced at these temperatures), 2) find better solutions for the water and thermal management problems in proton exchange membrane fuel cells, 3) find potentially lower cost materials for proton exchange membranes. We prepared and characterized a variety of novel membrane materials. The most promising of these have been evaluated for performance in a single, small area (5cm²) fuel cell run on hydrogen and oxygen. Our results establish the technical feasibility of PEMFC operation above 120°C.

Halogen–Metal Exchange on Bromoheterocyclics with Substituents Containing an Acidic Proton via Formation of a Magnesium Intermediate

Directory of Open Access Journals (Sweden)

Qingqiang Tian

2017-11-01

Full Text Available A selective and practical bromine–metal exchange on bromoheterocyclics bearing substituents with an acidic proton under non-cryogenic conditions was developed by a simple modification of an existing protocol. Our protocol of using a combination of i-PrMgCl and n-BuLi has not only solved the problem of intermolecular quenching that often occurred when using alkyl lithium alone as the reagent for halogen–lithium exchange, but also offered a highly selective method for performing bromo–metal exchange on dibrominated arene compounds through chelation effect.

Smart coating process of proton-exchange membrane for polymer electrolyte fuel cell

International Nuclear Information System (INIS)

Leu, Hoang-Jyh; Chiu, Kuo-Feng; Lin, Chiu-Yue

2013-01-01

Highlights: ► Using oxygen plasma and smart coating technique for membrane modification. ► Oxygen plasma treatment can increase the reaction area of the membrane. ► AFM, SEM, FT-IR, XPS, EIS spectra can prove the surface treatment process. ► Nafion membrane modification can reduce Rct and enhance current density. - Abstract: The interfaces of electrolyte|catalyst|electrode play an important role in the performance of proton-exchange membrane fuel cells (PEMFCs). Increasing the interface effective area and lowering the charge transfer resistance of the interface are significant issues to promote the cell performance. In this study, oxygen plasma treatment was used to increase the surface roughness of Nafion®117 membrane, and then a smart coating process was applied to fabricate the initial Pt/C catalyst layer, which served to reduce the charge transfer resistance of the interface. The morphology and surface characteristics of membranes have been qualified by scanning electron microscopy, atomic force microscopy and X-ray photoelectron spectroscopy. These results show that the plasma treatments and smart coating processes were effective in reducing the interface charge transfer resistance. At optimal condition, the interface charge transfer resistance was 0.45 Ω/cm 2 which was 1–2 order less than the untreated ones

Molecular simulations of hydrated proton exchange membranes. The structure

Energy Technology Data Exchange (ETDEWEB)

Marcharnd, Gabriel [Duisburg-Essen Univ., Essen (Germany). Lehrstuhl fuer Theoretische Chemie; Bordeaux Univ., Talence (France). Dept. of Chemistry; Bopp, Philippe A. [Bordeaux Univ., Talence (France). Dept. of Chemistry; Spohr, Eckhard [Duisburg-Essen Univ., Essen (Germany). Lehrstuhl fuer Theoretische Chemie

2013-01-15

The structure of two hydrated proton exchange membranes for fuel cells (PEMFC), Nafion {sup registered} (Dupont) and Hyflon {sup registered} (Solvay), is studied by all-atom molecular dynamics (MD) computer simulations. Since the characteristic times of these systems are long compared to the times for which they can be simulated, several different, but equivalent, initial configurations with a large degree of randomness are generated for different water contents and then equilibrated and simulated in parallel. A more constrained structure, analog to the newest model proposed in the literature based on scattering experiments, is investigated in the same way. One might speculate that a limited degree of entanglement of the polymer chains is a key feature of the structures showing the best agreement with experiment. Nevertheless, the overall conclusion remains that the scattering experiments cannot distinguish between the several, in our view equally plausible, structural models. We thus find that the characteristic features of experimental scattering curves are, after equilibration, fairly well reproduced by all systems prepared with our method. We thus study in more detail some structural details. We attempt to characterize the spatial and size distribution of the water rich domains, which is where the proton diffusion mostly takes place, using several clustering algorithms. (orig.)

Experimentally and numerically investigating cell performance and localized characteristics for a high-temperature proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Su Ay; Ferng, Yuh Ming; Shih, Jah Ching

2009-01-01

This paper is to experimentally and numerically investigate the cell performance and the localized characteristics associated with a high-temperature proton exchange membrane fuel cell (PEMFC). Three experiments are carried out in order to study the performance of the PEMFC with different operating conditions and to validate the numerical simulation model. The model proposed herein is a three-dimensional (3-D) computational fluid dynamics (CFD) non-isothermal model that essentially consists of thermal-hydraulic equations and electrochemical model. The performance curves of the PEMFC predicted by the present model agree with the experimental measured data. In addition, both the experiments and the predictions precisely demonstrate the enhanced effects of inlet gas temperature and system pressure on the PEMFC performance. Based on the simulation results, the localized characteristics within a PEMFC can be reasonably captured. These parameters include the fuel gas distribution, liquid water saturation distribution, membrane conductivity distribution, temperature variation, and current density distribution etc. As the PEMFC is operated at the higher current density, the fuel gas would be insufficiently supplied to the catalyst layer, consequently causing the decline in the generation of power density. This phenomenon is so called mass transfer limitation, which can be precisely simulated by the present CFD model.

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory.

Science.gov (United States)

Eich, F G; Hellgren, Maria

2014-12-14

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

International Nuclear Information System (INIS)

Eich, F. G.; Hellgren, Maria

2014-01-01

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative

Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory.

Science.gov (United States)

Otero-de-la-Roza, A; DiLabio, Gino A; Johnson, Erin R

2016-07-12

In this article, we develop an understanding of how errors from exchange-correlation functionals affect the modeling of noncovalent interactions in dispersion-corrected density-functional theory. Computed CCSD(T) reference binding energies for a collection of small-molecule clusters are decomposed via a molecular many-body expansion and are used to benchmark density-functional approximations, including the effect of semilocal approximation, exact-exchange admixture, and range separation. Three sources of error are identified. Repulsion error arises from the choice of semilocal functional approximation. This error affects intermolecular repulsions and is present in all n-body exchange-repulsion energies with a sign that alternates with the order n of the interaction. Delocalization error is independent of the choice of semilocal functional but does depend on the exact exchange fraction. Delocalization error misrepresents the induction energies, leading to overbinding in all induction n-body terms, and underestimates the electrostatic contribution to the 2-body energies. Deformation error affects only monomer relaxation (deformation) energies and behaves similarly to bond-dissociation energy errors. Delocalization and deformation errors affect systems with significant intermolecular orbital interactions (e.g., hydrogen- and halogen-bonded systems), whereas repulsion error is ubiquitous. Many-body errors from the underlying exchange-correlation functional greatly exceed in general the magnitude of the many-body dispersion energy term. A functional built to accurately model noncovalent interactions must contain a dispersion correction, semilocal exchange, and correlation components that minimize the repulsion error independently and must also incorporate exact exchange in such a way that delocalization error is absent.

An artificial neural network ensemble method for fault diagnosis of proton exchange membrane fuel cell system

International Nuclear Information System (INIS)

Shao, Meng; Zhu, Xin-Jian; Cao, Hong-Fei; Shen, Hai-Feng

2014-01-01

The commercial viability of PEMFC (proton exchange membrane fuel cell) systems depends on using effective fault diagnosis technologies in PEMFC systems. However, many researchers have experimentally studied PEMFC (proton exchange membrane fuel cell) systems without considering certain fault conditions. In this paper, an ANN (artificial neural network) ensemble method is presented that improves the stability and reliability of the PEMFC systems. In the first part, a transient model giving it flexibility in application to some exceptional conditions is built. The PEMFC dynamic model is built and simulated using MATLAB. In the second, using this model and experiments, the mechanisms of four different faults in PEMFC systems are analyzed in detail. Third, the ANN ensemble for the fault diagnosis is built and modeled. This model is trained and tested by the data. The test result shows that, compared with the previous method for fault diagnosis of PEMFC systems, the proposed fault diagnosis method has higher diagnostic rate and generalization ability. Moreover, the partial structure of this method can be altered easily, along with the change of the PEMFC systems. In general, this method for diagnosis of PEMFC has value for certain applications. - Highlights: • We analyze the principles and mechanisms of the four faults in PEMFC (proton exchange membrane fuel cell) system. • We design and model an ANN (artificial neural network) ensemble method for the fault diagnosis of PEMFC system. • This method has high diagnostic rate and strong generalization ability

Electrochemical Behavior and Hydrophobic Properties of CrN and CrNiN Coatings in Simulated Proton Exchange Membrane Fuel Cell Environment

Directory of Open Access Journals (Sweden)

JIN Jie

2016-10-01

Full Text Available The CrN and CrNiN coatings were prepared on the surface of 304 stainless steel by closed field unbalanced magnetron sputtering.X ray diffraction and field emission scanning electron microscopy were used to characterize the structure and morphology of the coatings.The electrochemical corrosion properties under the simulated proton exchange membrane fuel cell(PEMFC environment, interfacial contact resistance and hydrophobic properties of the two kinds of different coatings were investigated by electrochemical methods,contact resistance test and hydrophobic test,respectively.The results indicate that CrN coating mainly consists of CrN and Cr2N phase,CrN and Cr2N phases in the CrNiN coating are less compared to CrN film, and Ni exist as element in CrNiN coating; dynamic polarization tests show the coating is of better corrosion resistance,whereas the corrosion resistance of CrNiN coating is worse than that of CrN coating,constant potential polarization test shows the corrosion current density of CrN and CrNiN coatings are equivalent; CrN and CrNiN coatings significantly reduce the interfacial contact resistance of the 304 stainless steel,among which CrN coating has the smallest contact resistance; and CrNiN coating which has better hydrophobicity than that of CrN coating is more beneficial for the water management in proton exchange membrane fuel cell.

Fabrication of gas diffusion layer based on x-y robotic spraying technique for proton exchange membrane fuel cell application

International Nuclear Information System (INIS)

Sitanggang, Ramli; Mohamad, Abu Bakar; Daud, Wan Ramli Wan; Kadhum, Abdul Amir H.; Iyuke, S.E.

2009-01-01

The x-y robotic spraying technique developed in the Universiti Kebangsaan Malaysia is capable of fabricating various sizes of thickness and porosity of gas diffusion layer (GDL) used in the proton exchange membrane fuel cell (PEMFC). These parameters are obtained by varying the characteristic spray numbers of the robotic spraying machine. This investigation results were adequately represented with mathematical equations for hydrogen gas distribution in GDL. Volumetric modulus (M) parameter is used to determine the value of current density produced on the electrode of a single cell PEMFC. Thus the M parameter can be employed as indicator for a successful GDL fabrication. GDL type 4 has three variables of layer design that can be optimized to function as gas distributor, gas storage, flooding preventer on GDL surface, to evacuate water from the electrode and to control the electrical conductivity. The gas distribution in GDL was mathematically represented with average error of 15.5%. The M value of GDL type 4 according to the model was 0.22 cm 3 /s and yielded a current density of 750 A/m 2 .

Porous polybenzimidazole membranes doped with phosphoric acid: Preparation and application in high-temperature proton-exchange-membrane fuel cells

International Nuclear Information System (INIS)

Li, Jin; Li, Xiaojin; Yu, Shuchun; Hao, Jinkai; Lu, Wangting; Shao, Zhigang; Yi, Baolian

2014-01-01

Highlights: • Porous polybenzimidazole membrane was prepared with glucose as porogen. • Phosphoric acid content was as high as 15.7 mol H 3 PO 4 per PBI repeat unit. • 200 h Constant current density test was carried out at 150 °C. • Degradation was due to the gap between membrane and catalyst layer. - Abstract: In this paper, the preparation and characterization of porous polybenzimidazole membranes doped with phosphoric acid were reported. For the preparation of porous polybenzimidazole membranes, glucose and saccharose were selected as porogen and added into PBI resin solution before solvent casting. The prepared porous PBI membranes had high proton conductivity and high content of acid doping at room temperature with 15.7 mol H 3 PO 4 per PBI repeat unit, much higher than pure PBI membrane at the same condition. Further, the performance and stability of the porous PBI membrane in high-temperature proton-exchange-membrane fuel cells was tested. It was found that the cell performance remained stable during 200 h stability test under a constant current discharge of 0.5 A cm −2 except for the last fifty hours. The decay in the last fifty hours was ascribed to the delamination between the catalyst layer and membrane increasing the charge-transfer resistance

Deep-inelastic electron-proton diffraction

International Nuclear Information System (INIS)

Dainton, J.B.

1995-11-01

Recent measurements by the H1 collaboration at HERA of the cross section for deep-inelastic electron-proton scattering in which the proton interacts with minimal energy transfer and limited 4-momentum transfer squared are presented in the form of the contribution F 2 D(3) to the proton structure function F 2 . By parametrising the cross section phenomenologically in terms of a leading effective Regge pole exchange and comparing the result with a similar parametrisation of hadronic pp physics, the proton interaction is demonstrated to be dominantly of a diffractive nature. The quantitative interpretation of the parametrisation in terms of the properties of an effective leading Regge pole exchange, the pomeron (IP), shows that there is no evidence for a 'harder' BFKL-motivated IP in such deep-inelastic proton diffraction. The total contribution of proton diffraction to deep-inelastic electron-proton scattering is measured to be ∝10% and to be rather insensitive to Bjorken-x and Q 2 . A first measurement of the partonic structure of diffractive exchange is presented. It is shown to be readily interpreted in terms of the exchange of gluons, and to suggest that the bulk of diffractive momentum transfer is carried by a leading gluon. (orig.)

SiO2-TiO2-P2O5 meso porous coatings for proton exchange membranes fuel cells

International Nuclear Information System (INIS)

Castro, Y.; Mosa, J.; Duran, A.

2014-01-01

The article describes the preparation of meso porous SiO 2 -TiO 2 -P 2 O 5 coatings by Sol-Gel process combined to EISA method for using as proton exchange membranes fuel cells. Tetraethyl orthosilicate (TEOS), methyl triethoxysilane (MTES), titanium tetrachloride (TiCl 4 ) and phosphorus trichloride (PCl 3 ) have used as precursors and cetyl trimethylammonium bromide (CTAB) as porous generator agent. Films were deposited by immersion technique controlling the relative humidity at 40 and 20-70% and treated at 400 to 500 degree centigrade for 15, 30, 45 and 60 min. The variation of the refractive index and thickness have studied as a function of temperature and sintering time as well as the pore volume and density of the coatings by spectroscopic ellipsometry. Moreover, the hydrophobic/hydrophilic character of the coatings has been studied by Transform Infrared Spectroscopy (FTIR) and by contact angle measurements, following the loss of methyl groups with the temperature and sintering time. The results show that these parameters are crucial to obtain coatings with high porosity and low contact angle, important to obtain high proton conductivity conditions. The sintering conditions were fixed to 400 degree centigrade/60 min. Conductivity measurements at four points show high proton conductivity, 0,16 and 0,85 S/cm, up and down ramp, respectively, at 80 degree centigrade and 80 % of humidity. These coatings are good candidates for PEMFC membranes, if they are deposited onto electrodes. (Author)

A concise guide to sustainable PEMFCs: recent advances in improving both oxygen reduction catalysts and proton exchange membranes.

Science.gov (United States)

Scofield, Megan E; Liu, Haiqing; Wong, Stanislaus S

2015-08-21

The rising interest in fuel cell vehicle technology (FCV) has engendered a growing need and realization to develop rational chemical strategies to create highly efficient, durable, and cost-effective fuel cells. Specifically, technical limitations associated with the major constituent components of the basic proton exchange membrane fuel cell (PEMFC), namely the cathode catalyst and the proton exchange membrane (PEM), have proven to be particularly demanding to overcome. Therefore, research trends within the community in recent years have focused on (i) accelerating the sluggish kinetics of the catalyst at the cathode and (ii) minimizing overall Pt content, while simultaneously (a) maximizing activity and durability as well as (b) increasing membrane proton conductivity without causing any concomitant loss in either stability or as a result of damage due to flooding. In this light, as an example, high temperature PEMFCs offer a promising avenue to improve the overall efficiency and marketability of fuel cell technology. In this Critical Review, recent advances in optimizing both cathode materials and PEMs as well as the future and peculiar challenges associated with each of these systems will be discussed.

Genome-Wide Identification and Analysis of Arabidopsis Sodium Proton Antiporter (NHX and Human Sodium Proton Exchanger (NHE Homologs in Sorghum bicolor

Directory of Open Access Journals (Sweden)

P. Hima Kumari

2018-05-01

Full Text Available Na+ transporters play an important role during salt stress and development. The present study is aimed at genome-wide identification, in silico analysis of sodium-proton antiporter (NHX and sodium-proton exchanger (NHE-type transporters in Sorghum bicolor and their expression patterns under varied abiotic stress conditions. In Sorghum, seven NHX and nine NHE homologs were identified. Amiloride (a known inhibitor of Na+/H+ exchanger activity binding motif was noticed in both types of the transporters. Chromosome 2 was found to be a hotspot region with five sodium transporters. Phylogenetic analysis inferred six ortholog and three paralog groups. To gain an insight into functional divergence of SbNHX/NHE transporters, real-time gene expression was performed under salt, drought, heat, and cold stresses in embryo, root, stem, and leaf tissues. Expression patterns revealed that both SbNHXs and SbNHEs are responsive either to single or multiple abiotic stresses. The predicted protein–protein interaction networks revealed that only SbNHX7 is involved in the calcineurin B-like proteins (CBL- CBL interacting protein kinases (CIPK pathway. The study provides insights into the functional divergence of SbNHX/NHE transporter genes with tissue specific expressions in Sorghum under different abiotic stress conditions.

Development of the sulphonated poly(2,6-Dimethyl-1,4-Phenylene Oxide) membranes for proton exchange membranes fuel cells

International Nuclear Information System (INIS)

Ebrasu, Daniela; Petreanu, Irina; Iordache, Ioan; Stefanescu, Ioan; Gaspar, Costinela-Laura; Militaru, Daniela

2008-01-01

Full text: Fuel cells have the potential to become an important energy conversion technology. Research efforts directed toward the widespread commercialization of fuel cells have accelerated the developing of new types of Proton Exchange Membranes (also termed 'polymer electrolyte membranes') (PEM). Common issues critical to all high performance proton exchange membranes include: - high protonic conductivity; - low electronic conductivity; - low permeability to fuel and oxidant; - low water transport through diffusion and electro-osmosis; - oxidative and hydrolytic stability; - good mechanical properties in both the dry and hydrated states; - cost; and capability for fabrication into Membrane Electrode Assemblies (MEAs). In this sense we choose to use poly(2,6-Dimethyl-1,4-Phenylene Oxide) (PPO) as basis for development of new PEM membranes. The membranes were prepared by lamination from solution (Doctor Balde) method in controlled atmosphere (preliminary vacuum 0.003 Torr and/or nitrogen). FTIR spectra of the sulphonated polymers prove the sulphonic groups presence according the literature. Ionic exchange capacity (IEC) have the values 1.15-3.6 meq/g. TGA-DSC analysis put in evidence the thermal degradation of the sulphonated polymers at about 120 deg. C. These properties of the sulphonated PPO are in accordance of the requirements for PEM membranes and indicate that this polymer is suitable for PEM Fuel cells. (authors)

Fluorinated poly(ether sulfone) ionomers with disulfonated naphthyl pendants for proton exchange membrane applications

Science.gov (United States)

Hu, Zhaoxia; Lu, Yao; Zhang, Xulve; Yan, Xiaobo; Li, Na; Chen, Shouwen

2018-06-01

Proton exchange membranes based on fluorinated poly(ether sulfone)s with disulfonated naphthyl pendants (sSPFES) have been successfully prepared by post functionalization through polymeric SNAr reaction. Copolymer structure was confirmed by H-nuclear magnetic resonance spectroscopy and Fourier transform infrared spectroscopy, the physico-chemical properties of the sSPFES membranes were evaluated by thermogravimetric analysis, gel permeation chromatography, electro-chemical impedance spectroscopy, atomic force microscopy, Fenton, water-swelling and fuel cell test. The pendant grafting degree was controlled by varying the feeding amount of the disulfonaphthols, resulting in the ion exchange capacity about 1.28-1.73 mmol/g. The obtained sSPFES membranes were thermal stable, mechanical ductile, and exhibited dimensional change less than 17%, water uptake below 70%, and proton conductivity as high as 0.17-0.28 S/cm at 90°C in water. In a single H2/O2 fuel cell test at 80°C, the sSPFES-B-3.2 membrane (1.61 mmol/g) showed the maximum power output of 593-658 mW/cm2 at 60%-80% relative humidity, indicating their rather promising potential for fuel cell applications.

Proton radiography to improve proton therapy treatment

NARCIS (Netherlands)

Takatsu, J.; van der Graaf, E. R.; van Goethem, Marc-Jan; van Beuzekom, M.; Klaver, T.; Visser, Jan; Brandenburg, S.; Biegun, A. K.

The quality of cancer treatment with protons critically depends on an accurate prediction of the proton stopping powers for the tissues traversed by the protons. Today, treatment planning in proton radiotherapy is based on stopping power calculations from densities of X-ray Computed Tomography (CT)

Spin observables in antiproton-proton to AntiLambda-Lambda and density-matrix constraints

OpenAIRE

Elchikh, Mokhtar; Richard, Jean-Marc

2005-01-01

The positivity conditions of the spin density matrix constrain the spin observables of the reaction antiproton-proton to AntiLambda-Lambda, leading to model-independent, non-trivial inequalities. The formalism is briefly presented and examples of inequalities are provided.

CALCULATION OF THE PROTON-TRANSFER RATE USING DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS - INCLUSION OF THE PROTON EXCITED-STATES

NARCIS (Netherlands)

MAVRI, J; BERENDSEN, HJC

1995-01-01

The methodology for treatment of proton transfer processes by density matrix evolution (DME) with inclusion of many excited states is presented. The DME method (Berendsen, H. J. C.; Mavri, J. J. Phys. Chem. 1993, 97, 13464) that simulates the dynamics of quantum systems embedded in a classical

Design of flow-field patterns for proton exchange membrane fuel cell application

International Nuclear Information System (INIS)

Rosli, M.I.; Wan Ramli Wan Daud; Kamaruzzaman Sopian; Jaafar Sahari

2006-01-01

Fuel cells are electrochemical devices that produce electricity at high efficiency without combustion. Fuel cells are emerging as viable candidates as power sources in many applications, including road vehicles, small-scale power stations, and possibly even portable electronics. This paper addresses the design of flow-field patterns for proton exchange membrane fuel cell (PEMFC). The PEMFC is a low-temperature fuel cell, in which a proton conductive polymer membrane is used as the electrolyte. In PEMFC, flow-field pattern is one important thing that effects the performance of PEMFC. This paper present three types of flow-field pattern that will be consider to be testing using CFD analysis and by experimental. The design look detail on to their shape and dimension to get the best pattern in term of more active electrode area compare to electrode area that will be used. Another advantage and disadvantage for these three type of flow-field patterns from literature also compared in this paper

Diagnosis of Weibel instability evolution in the rear surface density scale lengths of laser solid interactions via proton acceleration

International Nuclear Information System (INIS)

Scott, G G; Brenner, C M; Clarke, R J; Green, J S; Heathcote, R I; Rusby, D R; McKenna, P; Neely, D; Bagnoud, V; Zielbauer, B; Gonzalez-Izquierdo, B; Powell, H W

2017-01-01

It is shown for the first time that the spatial and temporal distribution of laser accelerated protons can be used as a diagnostic of Weibel instability presence and evolution in the rear surface scale lengths of a solid density target. Numerical modelling shows that when a fast electron beam is injected into a decreasing density gradient on the target rear side, a magnetic instability is seeded with an evolution which is strongly dependent on the density scale length. This is manifested in the acceleration of a filamented proton beam, where the degree of filamentation is also found to be dependent on the target rear scale length. Furthermore, the energy dependent spatial distribution of the accelerated proton beam is shown to provide information on the instability evolution on the picosecond timescale over which the protons are accelerated. Experimentally, this is investigated by using a controlled prepulse to introduce a target rear scale length, which is varied by altering the time delay with respect to the main pulse, and similar trends are measured. This work is particularly pertinent to applications using laser pulse durations of tens of picoseconds, or where a micron level density scale length is present on the rear of a solid target, such as proton-driven fast ignition, as the resultant instability may affect the uniformity of fuel energy coupling. (paper)

Plasma Deposited Thin Iron Oxide Films as Electrocatalyst for Oxygen Reduction Reaction in Proton Exchange Membrane Fuel Cells

Directory of Open Access Journals (Sweden)

Lukasz JOZWIAK

2017-02-01

Full Text Available The possibility of using plasma deposited thin films of iron oxides as electrocatalyst for oxygen reduction reaction (ORR in proton exchange membrane fuel cells (PEMFC was examined. Results of energy-dispersive X-ray spectroscopy (EDX and X-ray photoelectron spectroscopy (XPS analysis indicated that the plasma deposit consisted mainly of FeOX structures with the X parameter close to 1.5. For as deposited material iron atoms are almost exclusively in the Fe3+ oxidation state without annealing in oxygen containing atmosphere. However, the annealing procedure can be used to remove the remains of carbon deposit from surface. The single cell test (SCT was performed to determine the suitability of the produced material for ORR. Preliminary results showed that power density of 0.23 mW/cm2 could be reached in the tested cell.DOI: http://dx.doi.org/10.5755/j01.ms.23.1.14406

Helium Ion Microscopy of proton exchange membrane fuel cell electrode structures

Directory of Open Access Journals (Sweden)

Serguei Chiriaev

2017-12-01

Full Text Available Characterization of composite materials with microscopy techniques is an essential route to understanding their properties and degradation mechanisms, though the observation with a suitable type of microscopy is not always possible. In this work, we present proton exchange membrane fuel cell electrode interface structure dependence on ionomer content, systematically studied by Helium Ion Microscopy (HIM. A special focus was on acquiring high resolution images of the electrode structure and avoiding interface damage from irradiation and tedious sample preparation. HIM demonstrated its advantages in surface imaging, which is paramount in studies of the interface morphology of ionomer covered or absorbed catalyst structures in a combination with electrochemical characterization and accelerated stress test. The electrode porosity was found to depend on the ionomer content. The stressed electrodes demonstrated higher porosity in comparison to the unstressed ones on the condition of no external mechanical pressure. Moreover, formation of additional small grains was observed for the electrodes with the low ionomer content, indicating Pt redeposition through Ostwald ripening. Polymer nanofiber structures were found in the crack regions of the catalyst layer, which appear due to the internal stress originated from the solvent evaporation. These fibers have fairly uniform diameters of a few tens of nanometers, and their density increases with the increasing ionomer content in the electrodes. In the hot-pressed electrodes, we found more closed contact between the electrode components, reduced particle size, polymer coalescence and formation of nano-sized polymer fiber architecture between the particles.

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

Science.gov (United States)

Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

2015-04-21

We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

Controlling fuel crossover and hydration in ultrathin proton exchange membrane-based fuel cells using Pt-nanosheet catalysts

DEFF Research Database (Denmark)

Wang, Rujie; Zhang, Wenjing (Angela); He, Gaohong

2014-01-01

and provided in situ hydration inside Nafion membranes to maintain their proton conductivity level. Furthermore, LDH nanosheets reinforced the Nafion membranes, with 181% improvement in tensile modulus and 166% improvement in yield strength. In a hydrogen fuel cell running with dry fuel, the membrane......An ultra-thin proton exchange membrane with Pt-nanosheet catalysts was designed for a self-humidifying fuel cell running on H2 and O2. In this design, an ultra-thin Nafion membrane was used to reduce ohmic resistance. Pt nanocatalysts were uniformly anchored on exfoliated, layered double hydroxide...

Development of an air bleeding technique and specific duration to improve the CO tolerance of proton-exchange membrane fuel cells

International Nuclear Information System (INIS)

Chung, Chen-Chung; Chen, Chiun-Hsun; Weng, De-Zheng

2009-01-01

This study investigated transient CO poisoning of a proton-exchange membrane fuel cell under either a fixed cell voltage or fixed current density. During CO poisoning tests, the cell performance decreases over time. Experiments were performed to identify which method yields better performance in CO poisoning tests. The results revealed that a change in cell voltage did not affect the stable polarization behavior after CO poisoning of the cell. On the other hand, a higher fixed current density yielded better tolerance of 52.7 ppm CO. The air bleeding technique was then applied using different timings for air introduction during CO poisoning tests. Air bleeding significantly improved the CO tolerance of the cell and recovered the performance after poisoning, regardless of the timing of air introduction. The effects of different anode catalyst materials on cell performance were also investigated during poisoning tests. Without air bleeding, a Pt-Ru alloy catalyst exhibited better CO tolerance than a pure Pt catalyst. However, the air bleeding technique can effectively increase the CO tolerance of cells regardless of the type of catalyst used.

Which Density Functional Should Be Used to Describe Protonated Water Clusters?

Science.gov (United States)

Shi, Ruili; Huang, Xiaoming; Su, Yan; Lu, Hai-Gang; Li, Si-Dian; Tang, Lingli; Zhao, Jijun

2017-04-27

Protonated water cluster is one of the most important hydrogen-bond network systems. Finding an appropriate DFT method to study the properties of protonated water clusters can substantially improve the economy in computational resources without sacrificing the accuracy compared to high-level methods. Using high-level MP2 and CCSD(T) methods as well as experimental results as benchmark, we systematically examined the effect of seven exchange-correlation GGA functionals (with BLYP, B3LYP, X3LYP, PBE0, PBE1W, M05-2X, and B97-D parametrizations) in describing the geometric parameters, interaction energies, dipole moments, and vibrational properties of protonated water clusters H + (H 2 O) 2-9,12 . The overall performance of all these functionals is acceptable, and each of them has its advantage in certain aspects. X3LYP is the best to describe the interaction energies, and PBE0 and M05-2X are also recommended to investigate interaction energies. PBE0 gives the best anharmonic frequencies, followed by PBE1W, B97-D and BLYP methods. PBE1W, B3LYP, B97-D, and X3LYP can yield better geometries. The capability of B97-D to distinguish the relative energies between isomers is the best among all the seven methods, followed by M05-2X and PBE0.

Exact-exchange time-dependent density-functional theory for static and dynamic polarizabilities

International Nuclear Information System (INIS)

Hirata, So; Ivanov, Stanislav; Bartlett, Rodney J.; Grabowski, Ireneusz

2005-01-01

Time-dependent density-functional theory (TDDFT) employing the exact-exchange functional has been formulated on the basis of the optimized-effective-potential (OEP) method of Talman and Shadwick for second-order molecular properties and implemented into a Gaussian-basis-set, trial-vector algorithm. The only approximation involved, apart from the lack of correlation effects and the use of Gaussian-type basis functions, was the consistent use of the adiabatic approximation in the exchange kernel and in the linear response function. The static and dynamic polarizabilities and their anisotropy predicted by the TDDFT with exact exchange (TDOEP) agree accurately with the corresponding values from time-dependent Hartree-Fock theory, the exact-exchange counterpart in the wave function theory. The TDOEP is free from the nonphysical asymptotic decay of the exchange potential of most conventional density functionals or from any other manifestations of the incomplete cancellation of the self-interaction energy. The systematic overestimation of the absolute values and dispersion of polarizabilities that plagues most conventional TDDFT cannot be seen in the TDOEP

HOGEN{trademark} proton exchange membrane hydrogen generators: Commercialization of PEM electrolyzers

Energy Technology Data Exchange (ETDEWEB)

Smith, W.F.; Molter, T.M. [Proton Energy Systems, Inc., Rocky Hill, CT (United States)

1997-12-31

PROTON Energy Systems` new HOGEN series hydrogen generators are Proton Exchange Membrane (PEM) based water electrolyzers designed to generate 300 to 1000 Standard Cubic Feet Per Hour (SCFH) of high purity hydrogen at pressures up to 400 psi without the use of mechanical compressors. This paper will describe technology evolution leading to the HOGEN, identify system design performance parameters and describe the physical packaging and interfaces of HOGEN systems. PEM electrolyzers have served US and UK Navy and NASA needs for many years in a variety of diverse programs including oxygen generators for life support applications. In the late 1970`s these systems were advocated for bulk hydrogen generation through a series of DOE sponsored program activities. During the military buildup of the 1980`s commercial deployment of PEM hydrogen generators was de-emphasized as priority was given to new Navy and NASA PEM electrolysis systems. PROTON Energy Systems was founded in 1996 with the primary corporate mission of commercializing PEM hydrogen generators. These systems are specifically designed and priced to meet the needs of commercial markets and produced through manufacturing processes tailored to these applications. The HOGEN series generators are the first step along the path to full commercial deployment of PEM electrolyzer products for both industrial and consumer uses. The 300/1000 series are sized to meet the needs of the industrial gases market today and provide a design base that can transition to serve the needs of a decentralized hydrogen infrastructure tomorrow.

Exact exchange-correlation potential and approximate exchange potential in terms of density matrices

International Nuclear Information System (INIS)

Holas, A.; March, N.H.

1995-01-01

An exact expression in terms of density matrices (DM) is derived for δF[n]/δn(r), the functional derivative of the Hohenberg-Kohn functional. The derivation starts from the differential form of the virial theorem, obtained here for an electron system with arbitrary interactions, and leads to an expression taking the form of an integral over a path that can be chosen arbitrarily. After applying this approach to the equivalent system of noninteracting electrons (Slater-Kohn-Sham scheme) and combining the corresponding result with the previous one, an exact expression for the exchange-correlation potential v xc (r) is obtained which is analogous in character to that for δF[n]/δn(r), but involving, besides the interacting-system DMs, also the noninteracitng DMs. Equating the former DMs to the latter ones, we reduce the result for the exact v xc (r) to that for an approximate exchange-only potential v x (r). This leads naturally to the Harbola-Sahni exchange-only potential

Dependence of regular background noise of VLF radiation and thunder-storm activity on solar wind proton density

International Nuclear Information System (INIS)

Sobolev, A.V.; Kozlov, V.I.

1997-01-01

Correlation of the intensity of slowly changing regular background noise within 9.7 kHz frequency in Yakutsk (L = 3) and of the solar wind density protons was determined. This result explains the reverse dependence of the intensity of the regular background noise on the solar activity, 27-day frequency, increase before and following geomagnetic storms, absence of relation with K p index of geomagnetic activity. Conclusion is made that growth of density of the solar wind protons results in increase of the regular background noise and thunderstorm activity

Investigation of water distribution in proton exchange membrane fuel cells via Terahertz imaging

International Nuclear Information System (INIS)

Thamboon, P.; Buaphad, P.; Thongbai, C.; Saisud, J.; Kusoljariyakul, K.; Rhodes, M.W.; Vilaithong, T.

2011-01-01

Coherent transition radiation in a THz regime generated from a femtosecond electron bunch is explored for its potential use in imaging applications. Due to water sensitivity, the THz imaging experiment is performed on a proton exchange membrane fuel cell (PEMFC) to assess the ability to quantify water in the flow field of the cell. In this investigation, the PEMFC design and the experimental setup for the THz imaging is described. The results of the THz images in the flow field are also discussed.

Dynamic Model of the High Temperature Proton Exchange Membrane Fuel Cell Stack Temperature

DEFF Research Database (Denmark)

Andreasen, Søren Juhl; Kær, Søren Knudsen

2009-01-01

The present work involves the development of a model for predicting the dynamic temperature of a high temperature proton exchange membrane (HTPEM) fuel cell stack. The model is developed to test different thermal control strategies before implementing them in the actual system. The test system co...... elements for start-up, heat conduction through stack insulation, cathode air convection, and heating of the inlet gases in the manifold. Various measurements are presented to validate the model predictions of the stack temperatures....

Exergy analysis of the biogas sorption-enhanced chemical looping reforming process integrated with a high-temperature proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Kasemanand, Sarunyou; Im-orb, Karittha; Tippawan, Phanicha; Wiyaratn, Wisitsree; Arpornwichanop, Amornchai

2017-01-01

Highlights: • A biogas reforming and fuel cell integrated process is considered. • Energy and exergy analyses of the integrated process are performed. • Increasing the nickel oxide-to-biogas ratio decreases the exergy efficiency. • The exergy destruction of the fuel cell increases with increasing cell temperature. • The exergy efficiency of the process is improved when heat integration is applied. - Abstract: A biogas sorption-enhanced chemical looping reforming process integrated with a high-temperature proton exchange membrane fuel cell is analyzed. Modeling of such an integrated process is performed by using a flowsheet simulator (Aspen plus). The exergy analysis is performed to evaluate the energy utilization efficiency of each unit and that of the integrated process. The effect of steam and nickel oxide to biogas ratios on the exergetic performance of the stand-alone biogas sorption-enhanced chemical looping reforming process is investigated. The total exergy destruction increases as the steam or nickel oxide to biogas ratio increases. The main exergy destruction is found at the air reactor. For the high-temperature proton exchange membrane fuel cell, the main exergy destruction is found at the cathode. The total exergy destruction increases when cell temperature increases, whereas the inverse effect is found when the current density is considered as a key parameter. Regarding the exergy efficiency, the results show opposite trend to the exergy destruction. The heat integration analysis is performed to improve the exergetic performance. It is found that the integrated process including the heat integration system can improve the exergy destruction and exergy efficiency of 48% and 60%, respectively.

Compact modeling of a telecom back-up unit powered by air-cooled proton exchange membrane fuel cell

DEFF Research Database (Denmark)

Gao, Xin; Kær, Søren Knudsen

2018-01-01

Applications of proton exchange membrane fuel cells (PEMFC’s) are expanding in portable, automotive and stationary markets. One promising application is the back-up power for telecommunication applications in remote areas where usually air-cooled PMEFC’s are used. An air-cooled PEMFC system is much...

Development and Validation of a Simple Analytical Model of the Proton Exchange Membrane Fuel Cell (Pemfc) in a Fork-Lift Truck Power System

DEFF Research Database (Denmark)

Hosseinzadeh, Elham; Rokni, Masoud

2013-01-01

In this study, a general proton exchange membrane fuel cell (PEMFC) model has been developed in order to investigate the balance of plant of a fork-lift truck thermodynamically. The model takes into account the effects of pressure losses, water crossovers, humidity aspects, and voltage overpotent......In this study, a general proton exchange membrane fuel cell (PEMFC) model has been developed in order to investigate the balance of plant of a fork-lift truck thermodynamically. The model takes into account the effects of pressure losses, water crossovers, humidity aspects, and voltage...

Using adaptive neuro fuzzy inference system (ANFIS) for proton exchange membrane fuel cell (PEMFC) performance modeling

International Nuclear Information System (INIS)

Rezazadeh, S.; Mirzaee, I.; Mehrabi, M.

2012-01-01

In this paper, an adaptive neuro fuzzy inference system (ANFIS) is used for modeling proton exchange membrane fuel cell (PEMFC) performance using some numerically investigated and compared with those to experimental results for training and test data. In this way, current density I (A/cm 2 ) is modeled to the variation of pressure at the cathode side P C (atm), voltage V (V), membrane thickness (mm), Anode transfer coefficient α an , relative humidity of inlet fuel RH a and relative humidity of inlet air RH c which are defined as input (design) variables. Then, we divided these data into train and test sections to do modeling. We instructed ANFIS network by 80% of numerical validated data. 20% of primary data which had been considered for testing the appropriateness of the models was entered ANFIS network models and results were compared by three statistical criterions. Considering the results, it is obvious that our proposed modeling by ANFIS is efficient and valid and it can be expanded for more general states

Using adaptive neuro fuzzy inference system (ANFIS) for proton exchange membrane fuel cell (PEMFC) performance modeling

Energy Technology Data Exchange (ETDEWEB)

Rezazadeh, S.; Mirzaee, I. [Urmia Univ., Urmia (Iran, Islamic Republic of); Mehrabi, M. [University of Pretoria, Pretoria (South Africa)

2012-11-15

In this paper, an adaptive neuro fuzzy inference system (ANFIS) is used for modeling proton exchange membrane fuel cell (PEMFC) performance using some numerically investigated and compared with those to experimental results for training and test data. In this way, current density I (A/cm{sup 2}) is modeled to the variation of pressure at the cathode side P{sup C} (atm), voltage V (V), membrane thickness (mm), Anode transfer coefficient {alpha}{sup an}, relative humidity of inlet fuel RH{sup a} and relative humidity of inlet air RH{sup c} which are defined as input (design) variables. Then, we divided these data into train and test sections to do modeling. We instructed ANFIS network by 80% of numerical validated data. 20% of primary data which had been considered for testing the appropriateness of the models was entered ANFIS network models and results were compared by three statistical criterions. Considering the results, it is obvious that our proposed modeling by ANFIS is efficient and valid and it can be expanded for more general states.

Determination of the equilibrium micelle-inserting position of the fusion peptide of gp41 of human immunodeficiency virus type 1 at amino acid resolution by exchange broadening of amide proton resonances

International Nuclear Information System (INIS)

Chang, D.-K.; Cheng, S.-F.

1998-01-01

The exchange broadening of backbone amide proton resonances of a 23-mer fusion peptide of the transmembrane subunit of HIV-1 envelope glycoprotein gp41, gp41-FP, was investigated at pH 5 and 7 at room temperature in perdeuterated sodium dodecyl sulfate (SDS) micellar solution. Comparison of resonance peaks for these pHs revealed an insignificant change in exchange rate between pH 5 and 7 for amide protons of residues 4 through 14, while the exchange rate increase at neutral pH was more prominent for amide protons of the remaining residues, with peaks from some protons becoming undetectable. The relative insensitivity to pH of the exchange for the amide protons of residues 4 through 14 is attributable to the drastic reduction in [OH-] in the micellar interior, leading to a decreased exchange rate. The A15-G16 segment represents a transition between these two regimes. The data are thus consistent with the notion that the peptide inserts into the hydrophobic core of a membrane-like structure and the A15-G16 dipeptide is located at the micellar-aqueous boundary

Phase-Space Density Analyses of the AE-8 Trapped Electron and the AP-8 Trapped Proton Model Environments

Energy Technology Data Exchange (ETDEWEB)

T.E. Cayton

2005-08-12

The AE-8 trapped electron and the AP-8 trapped proton models are used to examine the L-shell variation of phase-space densities for sets of transverse (or 1st) invariants, {mu}, and geometrical invariants, K (related to the first two adiabatic invariants). The motivation for this study is twofold: first, to discover the functional dependence of the phase-space density upon the invariants; and, second, to explore the global structure of the radiation belts within this context. Variation due to particle rest mass is considered as well. The overall goal of this work is to provide a framework for analyzing energetic particle data collected by instruments on Global Positioning System (GPS) spacecraft that fly through the most intense region of the radiation belt. For all considered values of {mu} and K, and for 3.5 R{sub E} < L < 6.5 R{sub E}, the AE-8 electron phase-space density increases with increasing L; this trend--the expected one for a population diffusing inward from an external source--continues to L = 7.5 R{sub E} for both small and large values of K but reverses slightly for intermediate values of K. The AP-8 proton phase-space density exhibits {mu}-dependent local minima around L = 5 R{sub E}. Both AE-8 and AP-8 exhibit critical or cutoff values for the invariants beyond which the flux and therefore the phase-space density vanish. For both electrons and protons, these cutoff values vary systematically with magnetic moment and L-shell and are smaller than those estimated for the atmospheric loss cone. For large magnetic moments, for both electrons and protons, the K-dependence of the phase-space density is exponential, with maxima at the magnetic equator (K = 0) and vanishing beyond a cutoff value, K{sub c}. Such features suggest that momentum-dependent trapping boundaries, perhaps drift-type loss cones, serve as boundary conditions for trapped electrons as well as trapped protons.

Phase-Space Density Analysis of the AE-8 Traped Electron and the AP-8 Trapped Proton Model Environments

Energy Technology Data Exchange (ETDEWEB)

Thomas E. Cayton

2005-08-01

The AE-8 trapped electron and the AP-8 trapped proton models are used to examine the L-shell variation of phase-space densities for sets of transverse (or 1st) invariants, {mu}, and geometrical invariants, K (related to the first two adiabatic invariants). The motivation for this study is twofold: first, to discover the functional dependence of the phase-space density upon the invariants; and, second, to explore the global structure of the radiation belts within this context. Variation due to particle rest mass is considered as well. The overall goal of this work is to provide a framework for analyzing energetic particle data collected by instruments on Global Positioning System (GPS) spacecraft that fly through the most intense region of the radiation belt. For all considered values of {mu} and K, and for 3.5 R{sub E} < L < 6.5 R{sub E}, the AE-8 electron phase-space density increases with increasing L; this trend--the expected one for a population diffusing inward from an external source--continues to L = 7.5 R{sub E} for both small and large values of K but reverses slightly for intermediate values of K. The AP-8 proton phase-space density exhibits {mu}-dependent local minima around L = 5 R{sub E}. Both AE-8 and AP-8 exhibit critical or cutoff values for the invariants beyond which the flux and therefore the phase-space density vanish. For both electrons and protons, these cutoff values vary systematically with magnetic moment and L-shell and are smaller than those estimated for the atmospheric loss cone. For large magnetic moments, for both electrons and protons, the K-dependence of the phase-space density is exponential, with maxima at the magnetic equator (K = 0) and vanishing beyond a cutoff value, K{sub c}. Such features suggest that momentum-dependent trapping boundaries, perhaps drift-type loss cones, serve as boundary conditions for trapped electrons as well as trapped protons.

Phase-Space Density Analyses of the AE-8 Trapped Electron and the AP-8 Trapped Proton Model Environments

International Nuclear Information System (INIS)

Cayton, Thomas E.

2005-01-01

The AE-8 trapped electron and the AP-8 trapped proton models are used to examine the L-shell variation of phase-space densities for sets of transverse (or 1st) invariants, μ, and geometrical invariants, K (related to the first two adiabatic invariants). The motivation for this study is twofold: first, to discover the functional dependence of the phase-space density upon the invariants; and, second, to explore the global structure of the radiation belts within this context. Variation due to particle rest mass is considered as well. The overall goal of this work is to provide a framework for analyzing energetic particle data collected by instruments on Global Positioning System (GPS) spacecraft that fly through the most intense region of the radiation belt. For all considered values of μ and K, and for 3.5 R E E , the AE-8 electron phase-space density increases with increasing L; this trend--the expected one for a population diffusing inward from an external source--continues to L = 7.5 R E for both small and large values of K but reverses slightly for intermediate values of K. The AP-8 proton phase-space density exhibits μ-dependent local minima around L = 5 R E . Both AE-8 and AP-8 exhibit critical or cutoff values for the invariants beyond which the flux and therefore the phase-space density vanish. For both electrons and protons, these cutoff values vary systematically with magnetic moment and L-shell and are smaller than those estimated for the atmospheric loss cone. For large magnetic moments, for both electrons and protons, the K-dependence of the phase-space density is exponential, with maxima at the magnetic equator (K = 0) and vanishing beyond a cutoff value, K c . Such features suggest that momentum-dependent trapping boundaries, perhaps drift-type loss cones, serve as boundary conditions for trapped electrons as well as trapped protons

Self assembled 12-tungstophosphoric acid-silica mesoporous nanocomposites as proton exchange membranes for direct alcohol fuel cells.

Science.gov (United States)

Tang, Haolin; Pan, Mu; Jiang, San Ping

2011-05-21

A highly ordered inorganic electrolyte based on 12-tungstophosphoric acid (H(3)PW(12)O(40), abbreviated as HPW or PWA)-silica mesoporous nanocomposite was synthesized through a facile one-step self-assembly between the positively charged silica precursor and negatively charged PW(12)O(40)(3-) species. The self-assembled HPW-silica nanocomposites were characterized by small-angle XRD, TEM, nitrogen adsorption-desorption isotherms, ion exchange capacity, proton conductivity and solid-state (31)P NMR. The results show that highly ordered and uniform nanoarrays with long-range order are formed when the HPW content in the nanocomposites is equal to or lower than 25 wt%. The mesoporous structures/textures were clearly presented, with nanochannels of 3.2-3.5 nm in diameter. The (31)P NMR results indicates that there are (≡SiOH(2)(+))(H(2)PW(12)O(40)(-)) species in the HPW-silica nanocomposites. A HPW-silica (25/75 w/o) nanocomposite gave an activation energy of 13.0 kJ mol(-1) and proton conductivity of 0.076 S cm(-1) at 100 °C and 100 RH%, and an activation energy of 26.1 kJ mol(-1) and proton conductivity of 0.05 S cm(-1) at 200 °C with no external humidification. A fuel cell based on a 165 μm thick HPW-silica nanocomposite membrane achieved a maximum power output of 128.5 and 112.0 mW cm(-2) for methanol and ethanol fuels, respectively, at 200 °C. The high proton conductivity and good performance demonstrate the excellent water retention capability and great potential of the highly ordered HPW-silica mesoporous nanocomposites as high-temperature proton exchange membranes for direct alcohol fuel cells (DAFCs).

Distribution of the Current Density in Electrolyte of the Pem Fuel Cell

Directory of Open Access Journals (Sweden)

Eugeniusz Kurgan

2004-01-01

Full Text Available In this paper water management in proton exchange membrane (PEM fuel cell is considered. Firt mass convervation law for water is applied. Next proton transport is described by the Nernst-Planck equation and liqid water convection velocity is eliminated by the Schlogl equation. Electro-osmotic drag coefficient is related to hydrogen index and experimentally determined swelling coefficient. Three partial differential equations for molar water concentration Cw, electric potential ϕ and water pressure Pw are formulated. Current density vector i is derived from proton flux expression. These equations together with adequate boundary conditions were solved using finite element method. The distribution of electric potential and current density in function of geometrical parametres is investigated. At the end some illustrative example is given.

Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization.

Science.gov (United States)

Phillips, Jordan J; Peralta, Juan E

2012-09-11

Semilocal functionals generally yield poor magnetic exchange couplings for transition-metal complexes, typically overpredicting in magnitude the experimental values. Here we show that semilocal functionals evaluated nonself-consistently on densities from hybrid functionals can yield magnetic exchange couplings that are greatly improved with respect to their self-consistent semilocal values. Furthermore, when semilocal functionals are evaluated nonself-consistently on densities from a "half-and-half" hybrid, their errors with respect to experimental values can actually be lower than those from self-consistent calculations with standard hybrid functionals such as PBEh or TPSSh. This illustrates that despite their notoriously poor performance for exchange couplings, for many systems semilocal functionals are capable of delivering accurate relative energies for magnetic states provided that their electron delocalization error is corrected. However, while self-consistent calculations with hybrids uniformly improve results for all complexes, evaluating nonself-consistently with semilocal functionals does not give a balanced improvement for both ferro- and antiferromagnetically coupled complexes, indicating that there is more at play with the overestimation problem than simply the delocalization error. Additionally, we show that for some systems the conventional wisdom of choice of exchange functional mattering more than correlation does not hold. This combined with results from the nonself-consistent calculations provide insight on clarifying the relative roles of exchange, correlation, and delocalization in calculating magnetic exchange coupling parameters in Kohn-Sham Density Functional Theory.

Synthesis and properties of hexafluoroisopropylidene-containing sulfonated poly(arylene thioether phosphine oxide)s for proton exchange membranes

Energy Technology Data Exchange (ETDEWEB)

Gui, Longyong; Zhang, Chunjie; Kang, Sen; Tan, Ning; Xiao, Guyu; Yan, Deyue [College of Chemistry and Chemical Engineering, The State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China)

2010-03-15

A series of novel sulfonated poly(arylene thioether phosphine oxide)s with hexafluoroisopropylidene moieties (sPTPOF) were prepared by polycondensation of sulfonated bis(4-fluorophenyl)phenyl phosphine oxide and bis(4-fluorophenyl)phenyl phosphine oxide with 4,4'-(hexafluoroisopropylidene) diphenthiol. The incorporation of hexafluoroisopropylidene moieties to the resulting polymers is effective to increase the hydrophobicity of non-sulfonated segments and to decrease the swelling while maintaining high proton conductivity. For instance, sPTPOF-100 showed a proton conductivity of 0.090 S/cm as well as a swelling of 5.3% at 80 C. In addition, the sPTPOF polymers exhibited excellent thermal properties and oxidative stability. AFM phase images illustrated that the sPTPOF membranes show a special nanophase-separated morphology, namely, the connectivity of ionic channels increased obviously but their width only slightly increased with increasing sulfonation degree. This special microstructure is favorable for promoting proton transport and restraining the swelling. The sPTPOF polymers are a promising material for proton exchange membranes. (author)

Charge-exchange breakup of the deuteron with the production of two protons and spin structure of the amplitude of the nucleon charge transfer reaction

International Nuclear Information System (INIS)

Glagolev, V.V.; Lyuboshits, V.L.; Lyuboshits, V.V.; Piskunov, N.M.

1999-01-01

In the framework of the impulse approximation, the relation between the effective cross section of the charge-exchange breakup of a fast deuteron d + a → (pp) + b and the effective cross section of the charge transfer process n + a → p + b is discussed. In doing so, the effects of the proton identity (Fermi-statistics) and of the Coulomb and strong interactions of protons in the final state are taken into account. The distribution over relative momenta of the protons, produced in the charge-exchange process d + p → (pp) + n in the forward direction, is investigated. At the transfer momenta being close to zero the effective cross section of the charge-exchange breakup of a fast deuteron, colliding with the proton target, is determined only by the spin-flip part of the amplitude of the charge transfer reaction n + p → p + n at the zero angle. It is shown that the study of the process d + p → (pp) + n in a beam of the polarized (aligned) deuterons allows one, in principle, to separate two spin-dependent terms in the amplitude of the charge transfer reaction n + p → p + n, one of which does not conserve and the other one conserves the projection of the nucleon spin onto the direction of momentum at the transition of the neutron into the proton

RADIATION STABILITY OF NAFION MEMBRANES USED FOR ISOTOPE SEPARATION BY PROTON EXCHANGE MEMBRANE ELECTROLYSIS

International Nuclear Information System (INIS)

Fox, E.

2009-01-01

Proton Exchange Membrane Electrolyzers have potential interest for use for hydrogen isotope separation from water. In order for PEME to be fully utilized, more information is needed on the stability of Nafion when exposed to radiation. This work examines Nafion 117 under varying exposure conditions, including dose rate, total dosage and atmospheric condition. Analytical tools, such as FT-IR, ion exchange capacity, DMA and TIC-TOC were used to characterize the exposed membranes. Analysis of the water from saturated membranes can provide important data on the stability of the membranes during radiation exposure. It was found that the dose rate of exposure plays an important role in membrane degradation. Potential mechanisms for membrane degradation include peroxide formation by free radicals

RADIATION STABILITY OF NAFION MEMBRANES USED FOR ISOTOPE SEPARATION BY PROTON EXCHANGE MEMBRANE ELECTROLYSIS

Energy Technology Data Exchange (ETDEWEB)

Fox, E

2009-05-15

Proton Exchange Membrane Electrolyzers have potential interest for use for hydrogen isotope separation from water. In order for PEME to be fully utilized, more information is needed on the stability of Nafion when exposed to radiation. This work examines Nafion 117 under varying exposure conditions, including dose rate, total dosage and atmospheric condition. Analytical tools, such as FT-IR, ion exchange capacity, DMA and TIC-TOC were used to characterize the exposed membranes. Analysis of the water from saturated membranes can provide important data on the stability of the membranes during radiation exposure. It was found that the dose rate of exposure plays an important role in membrane degradation. Potential mechanisms for membrane degradation include peroxide formation by free radicals.

A Review on Cold Start of Proton Exchange Membrane Fuel Cells

Directory of Open Access Journals (Sweden)

Zhongmin Wan

2014-05-01

Full Text Available Successful and rapid startup of proton exchange membrane fuel cells (PEMFCs at subfreezing temperatures (also called cold start is of great importance for their commercialization in automotive and portable devices. In order to maintain good proton conductivity, the water content in the membrane must be kept at a certain level to ensure that the membrane remains fully hydrated. However, the water in the pores of the catalyst layer (CL, gas diffusion layer (GDL and the membrane may freeze once the cell temperature decreases below the freezing point (Tf. Thus, methods which could enable the fuel cell startup without or with slight performance degradation at subfreezing temperature need to be studied. This paper presents an extensive review on cold start of PEMFCs, including the state and phase changes of water in PEMFCs, impacts of water freezing on PEMFCs, numerical and experimental studies on PEMFCs, and cold start strategies. The impacts on each component of the fuel cell are discussed in detail. Related numerical and experimental work is also discussed. It should be mentioned that the cold start strategies, especially the enumerated patents, are of great reference value on the practical cold start process.

On the Effect of Clamping Pressure and Method on the Current Mapping of Proton Exchange Membrane Water Electrolysis

DEFF Research Database (Denmark)

Al Shakhshir, Saher; Zhou, Fan; Kær, Søren Knudsen

The degradation of the electrochemical reaction of the proton exchange membrane water electrolysis (PEMWE) can be characterized using in-situ current mapping measurements (CMM). CMM is significantly affected by the amount of clamping pressure and method. In this work the current is mapped...

Highly Stable and Active Pt/Nb-TiO2 Carbon-Free Electrocatalyst for Proton Exchange Membrane Fuel Cells

Directory of Open Access Journals (Sweden)

Shuhui Sun

2012-01-01

Full Text Available The current materials used in proton exchange membrane fuel cells (PEMFCs are not sufficiently durable for commercial deployment. One of the major challenges lies in the development of an inexpensive, efficient, and highly durable and active electrocatalyst. Here a new type of carbon-free Pt/Nb-TiO2 electrocatalyst has been reported. Mesoporous Nb-TiO2 hollow spheres were synthesized by the sol-gel method using polystyrene (PS sphere templates. Pt nanoparticles (NPs were then deposited onto mesoporous Nb-TiO2 hollow spheres via a simple wet-chemical route in aqueous solution, without the need for surfactants or potentiostats. The growth densities of Pt NPs on Nb-TiO2 supports could be easily modulated by simply adjusting the experimental parameters. Electrochemical studies of Pt/Nb-TiO2 show much enhanced activity and stability than commercial E-TEK Pt/C catalyst. PtNP/Nb-TiO2 is a promising new cathode catalyst for PEMFC applications.

Protonic conductors for proton exchange membrane fuel cells: An overview

Directory of Open Access Journals (Sweden)

Jurado Ramon Jose

2002-01-01

Full Text Available At present, Nation, which is a perfluorinated polymer, is one of the few materials that deliver the set of chemical and mechanical properties required to perform as a good electrolyte in proton exchange membrane fuel cells (PEMFCs. However, Nation presents some disadvantages, such as limiting the operational temperature of the fuel system (So°C, because of its inability to retain water at higher temperatures and also suffers chemical crossover. In addition to these restrictions, Nation membranes are very expensive. Reducing costs and using environmentally friendly materials are good reasons to make a research effort in this field in order to achieve similar or even better fuel-cell performances. Glass materials of the ternary system SiO2-ZrO2-P2O5, hybrid materials based on Nation, and nanopore ceramic membranes based on SiO2 TiO2, Al2O3, etc. are considered at present, as promising candidates to replace Nation as the electrolyte in PEMFCs. These types of materials are generally prepared by sol-gel processes in order to tailor their channel-porous structure and pore size. In this communication, the possible candidates in the near future as electrolytes (including other polymers different than Nation in PEMFCs are briefly reviewed. Their preparation methods, their electrical transport properties and conduction mechanisms are considered. The advantages and disadvantages of these materials with respect to Nation are also discussed.

Proton magnetic resonance study of the influence of chemical modification, mutation, quaternary state, and ligation state on dynamic stability of the heme pocket in hemoglobin as reflected in the exchange of the proximal histidyl ring labile proton

International Nuclear Information System (INIS)

Han, K.H.; La Mar, G.N.; Nagai, K.

1989-01-01

Proton nuclear magnetic resonance spectroscopy has been utilized to investigate the rates of exchange with deuterium of the proximal histidyl ring protons in a series of chemically modified and mutated forms of Hb A. Differences in rates of exchange are related to differences in the stability of the deformed or partially unfolded intermediates from which exchange with bulk solvent takes place. Each modified/mutated Hb exhibited kinetic subunit heterogeneity in the reduced ferrous state, with the alpha subunit exhibiting faster exchange than the beta subunit. Modification or mutation resulted in significant increases in the His F8 ring NH exchange rates primarily for the affected subunit and only if the modification/mutation occurs at the allosterically important alpha 1 beta 2 subunit interface. Moreover, this enhancement in exchange rate is observed primarily in that quaternary state of the modified/mutated Hb in which the modified/substituted residue makes the intersubunit contact. This confirms the importance of allosteric constraints in determining the dynamic properties of the heme pocket. Using modified or mutated Hbs that can switch between the alternate quaternary states within a given ligation state or ligate within a given quaternary state, we show that the major portion of the enhanced exchange rate in R-state oxy Hb relative to T-state deoxy Hb originates from the quaternary switch rather than from ligation. However, solely ligation effects are not negligible. The exchange rates of the His F8 ring labile protons increase dramatically upon oxidizing the iron to the ferric state, and both the subunit kinetic heterogeneity and the allosteric sensitivity to the quaternary state are essentially abolished

Exchange rates of creatine kinase metabolites: feasibility of imaging creatine by chemical exchange saturation transfer MRI.

Science.gov (United States)

Haris, Mohammad; Nanga, Ravi Prakash Reddy; Singh, Anup; Cai, Kejia; Kogan, Feliks; Hariharan, Hari; Reddy, Ravinder

2012-11-01

Creatine (Cr), phosphocreatine (PCr) and adenosine-5-triphosphate (ATP) are major metabolites of the enzyme creatine kinase (CK). The exchange rate of amine protons of CK metabolites at physiological conditions has been limited. In the current study, the exchange rate and logarithmic dissociation constant (pKa) of amine protons of CK metabolites were calculated. Further, the chemical exchange saturation transfer effect (CEST) of amine protons of CK metabolites with bulk water was explored. At physiological temperature and pH, the exchange rate of amine protons in Cr was found to be 7-8 times higher than PCr and ATP. A higher exchange rate in Cr was associated with lower pKa value, suggesting faster dissociation of its amine protons compared to PCr and ATP. CEST MR imaging of these metabolites in vitro in phantoms displayed predominant CEST contrast from Cr and negligible contribution from PCr and ATP with the saturation pulse parameters used in the current study. These results provide a new method to perform high-resolution proton imaging of Cr without contamination from PCr. Potential applications of these finding are discussed. Copyright © 2012 John Wiley & Sons, Ltd.

Correlated photon-pair generation in a periodically poled MgO doped stoichiometric lithium tantalate reverse proton exchanged waveguide

NARCIS (Netherlands)

Lobino, M.; Marshall, G.D.; Xiong, C.; Clark, A.S.; Bonneau, D.; Natarajan, C.M.; Tanner, M.G.; Hadfield, R.H.; Dorenbos, S.N.; Zijlstra, T.; Zwiller, V.; Marangoni, M.; Ramponi, R.; Thompson, M.G.; Eggleton, B.J.; O'Brien, J.L.

2011-01-01

We demonstrate photon-pair generation in a reverse proton exchanged waveguide fabricated on a periodically poled magnesium doped stoichiometric lithium tantalate substrate. Detected pairs are generated via a cascaded second order nonlinear process where a pump laser at wavelength of 1.55 ?m is first

Proton exchange membrane materials for the advancement of direct methanol fuel-cell technology

Science.gov (United States)

Cornelius, Christopher J [Albuquerque, NM

2006-04-04

A new class of hybrid organic-inorganic materials, and methods of synthesis, that can be used as a proton exchange membrane in a direct methanol fuel cell. In contrast with Nafion.RTM. PEM materials, which have random sulfonation, the new class of materials have ordered sulfonation achieved through self-assembly of alternating polyimide segments of different molecular weights comprising, for example, highly sulfonated hydrophilic PDA-DASA polyimide segment alternating with an unsulfonated hydrophobic 6FDA-DAS polyimide segment. An inorganic phase, e.g., 0.5 5 wt % TEOS, can be incorporated in the sulfonated polyimide copolymer to further improve its properties. The new materials exhibit reduced swelling when exposed to water, increased thermal stability, and decreased O.sub.2 and H.sub.2 gas permeability, while retaining proton conductivities similar to Nafion.RTM.. These improved properties may allow direct methanol fuel cells to operate at higher temperatures and with higher efficiencies due to reduced methanol crossover.

High power generation and COD removal in a microbial fuel cell operated by a novel sulfonated PES/PES blend proton exchange membrane

International Nuclear Information System (INIS)

Zinadini, S.; Zinatizadeh, A.A.; Rahimi, M.; Vatanpour, V.; Rahimi, Z.

2017-01-01

In this paper, firstly sulfonated polyethersulfone (SPES) was synthesized from polyethersulfone (PES) with sulfonation by chlorosulfonic acid as a sulfonating agent dissolved in concentrated sulfuric acid. PES/SPES blend proton exchange membranes (PEMs) were prepared at four different compositions with the non-solvent induced phase separation technique as alternative materials to Nafion membrane for application in a microbial fuel cell (MFC). The prepared PEMs were characterized by FTIR spectroscopy, AFM, SEM, contact angle, water uptake and oxygen permeability. Performances of the fabricated PEMs and commercial Nafion 117 were evaluated in a dual chamber MFC for treating of wastewater and electricity generation. Maximum generated power and current of the fabricated membranes were 58.726 mWm −2  at current density of 317.111 mAm −2 , while it was 45.512 mWm −2  at 228.673 mAm −2 for Nafion 117 at the similar experimental condition. The observed properties of low biofouling, low oxygen permeability, high power generation, high COD removal and coulombic efficiency (CE) indicated that the SPES membrane has potential to improve significantly the productivity of MFCs. - Highlights: • Sulfonated PES (SPES) was synthesized by chlorosulfonic acid in concentrated H 2 SO 4 . • PES/SPES blend proton exchange membranes (PEMs) were prepared for use in MFC. • Performance of PEMs and commercial Nafion 117 were tested to treat of wastewater. • Maximum generated power and current of SPES membrane was higher than Nafion 117.

Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster.

Science.gov (United States)

Gould, Tim; Pittalis, Stefano

2017-12-15

Ensemble density functional theory is a promising method for the efficient and accurate calculation of excitations of quantum systems, at least if useful functionals can be developed to broaden its domain of practical applicability. Here, we introduce a guaranteed single-valued "Hartree-exchange" ensemble density functional, E_{Hx}[n], in terms of the right derivative of the universal ensemble density functional with respect to the coupling constant at vanishing interaction. We show that E_{Hx}[n] is straightforwardly expressible using block eigenvalues of a simple matrix [Eq. (14)]. Specialized expressions for E_{Hx}[n] from the literature, including those involving superpositions of Slater determinants, can now be regarded as originating from the unifying picture presented here. We thus establish a clear and practical description for Hartree and exchange in ensemble systems.

Thermo-economic analysis of proton exchange membrane fuel cell fuelled with methanol and methane

International Nuclear Information System (INIS)

Suleiman, B.; Abdulkareem, A.S.; Musa, U.; Mohammed, I.A.; Olutoye, M.A.; Abdullahi, Y.I.

2016-01-01

Highlights: • Modified proton exchange membrane fuel cell was reported. • Thermolib software was used for the simulation of PEM fuel cell configurations. • Optimal operating parameters at 50 kW output of each process were determined. • Thermo-economic analysis is the most efficient way of process selection. • Methane system configuration has been identified as the best preferred PEM fuel cell. - Abstract: Exergy and economic analysis is often used to find and identify the most efficient process configuration for proton exchange membrane fuel cell from the thermo-economic point of view. This work gives an explicit account of the synergetic effect of exergetic and economic analysis of proton exchange membrane fuel cell (PEMFC) using methanol and methane as fuel sources. This was carried out through computer simulation using Thermolib simulation toolbox. Data generated from the simulated model were subsequently used for the thermodynamic and economic analysis. Analysis of energy requirement for the two selected processes revealed that the methane fuelled system requires the lower amount of energy (4.578 kJ/s) in comparison to the methanol fuelled configuration which requires 180.719 J/s. Energy analysis of both configurations showed that the principle of energy conservation was satisfied while the result of the exergy analysis showed high exergetic efficiency around major equipment (heat exchangers, compressors and pumps) of methane fuelled configuration. Higher irreversibility rate were observed around the burner, stack, and steam reformer. These trends of exergetic efficiency and irreversibility rate were observed around equipment in the methanol fuelled system but with lower performance when compared with the methane fuelled process configuration. On the basis of overall exergetic efficiency and lost work, the methanol system was more efficient with lower irreversibility rate of 547.27 kJ/s and exergetic efficiency of 34.44% in comparison with the methane

Effect of ionic strength, cation exchanger and inoculum age on the performance of Microbial fuel cells

Energy Technology Data Exchange (ETDEWEB)

Mohan, Yama; Das, Debabrata [Department of Biotechnology, Indian Institute of Technology, Kharagpur 721302 (India)

2009-09-15

Power generation in Microbial fuel cells (MFCs) is a function of various physico-chemical as well as biological parameters. In this study, we have examined the effect of ionic strength, cation exchanger and inoculum age on power generation in a mediator MFC with methylene blue as electron mediator using Enterobacter cloacae IIT-BT08. The effect of ionic strength was studied using NaCl in the anode chamber of a two chambered salt-bridge MFC at concentrations of 5 mM, 10 mM and 15 mM. Maximum power density of 12.8 mW/m{sup 2} was observed when 10 mM NaCl was used. Corresponding current density was noted to be 35.5 mA/m{sup 2}. Effect of cation exchanger was observed by replacing salt-bridge with a proton exchange membrane of equal surface area. When the salt-bridge was replaced by a proton exchange membrane, a 3-fold increase in the power density was observed. Power density and current density of 37.8 mW/m{sup 2} and 110.3 mA/m{sup 2} respectively were detected. The influence of the pre-inoculum on the MFC was studied using E. cloacae IIT-BT08 grown for 12, 14, 16 and 18 h. It was observed that 16 h grown culture when inoculated in the anode chamber gave the maximum power output. Power density and current density of 68 mW/m{sup 2} and 168 mA/m{sup 2} respectively were obtained. We demonstrate from these results that both physico-chemical as well as biological parameters need to be optimized for improving the power generation in MFCs. (author)

Dynamic behavior of liquid water transport in a tapered channel of a proton exchange membrane fuel cell cathode

NARCIS (Netherlands)

Akhtar, N.; Kerkhof, P.J.A.M.

2011-01-01

A numerical model of a proton exchange membrane fuel cell (PEMFC) cathode with a tapered channel design has been developed in order to examine the dynamic behavior of liquid water transport. Three-dimensional, transient simulations employing the level-set method (available in COMSOL 3.5a, a

Predicting liquid water saturation through differently structured cathode gas diffusion media of a proton exchange Membrane Fuel Cell

NARCIS (Netherlands)

Akhtar, N.; Kerkhof, P.J.A.M.

2012-01-01

The role of gas diffusion media with differently structured properties have been examined with emphasis on the liquid water saturation within the cathode of a proton exchange membrane fuel cell (PEMFC). The cathode electrode consists of a gas diffusion layer (GDL), a micro-porous layer and a

Correlation of infrared spectra and phase transitions in annealed proton-exchanged MgO doped LiNbO3

International Nuclear Information System (INIS)

Sun, Jian; Xu, Chang-qing

2015-01-01

Infrared spectra of OH − groups in annealed proton-exchanged (APE) 5 mol. % MgO-doped LiNbO 3 (MgO:LiNbO 3 ) crystals were studied using the Fourier transform infrared spectroscopy technique. Samples were prepared by benzoic acid proton-exchange followed with thermal annealing in oxygen. Evolutions of absorption peaks in APE MgO:LiNbO 3 crystals were recorded and analyzed. Comparing with none-doped APE LiNbO 3 crystals, a different phase transition behavior was found during thermal annealing. A periodically poled MgO:LiNbO 3 slab waveguide was prepared using identical procedures, and the second harmonic generation (SHG) signals were measured. Comparing the obtained SHG results with the infrared spectra, relationships between the phase transitions and the recovery of second-order nonlinear coefficients during thermal annealing were investigated. Finally, a method for optimizing the performance of MgO:LiNbO 3 waveguides was proposed

Proton exchange membranes prepared by grafting of styrene/divinylbenzene into crosslinked PTFE membranes

International Nuclear Information System (INIS)

Li Jingye; Ichizuri, Shogo; Asano, Saneto; Mutou, Fumihiro; Ikeda, Shigetoshi; Iida, Minoru; Miura, Takaharu; Oshima, Akihiro; Tabata, Yoneho; Washio, Masakazu

2005-01-01

Thin PTFE membranes were prepared by coating the PTFE dispersion onto the aluminum films. Thus the thin crosslinked PTFE (RX-PTFE) membranes were obtained by means of electron beam irradiation above the melting temperature of PTFE under oxygen-free atmosphere. The RX-PTFE membranes were pre-irradiated and grafted by styrene with or without divinylbenzene (DVB) in liquid phase. The existence of DVB accelerated the initial grafting rate. The styrene grafted RX-PTFE membranes are white colored, on the other hand, the styrene/DVB grafted RX-PTFE membranes are colorless. The proton exchange membranes (PEMs) were obtained by sulfonating the grafted membranes using chlorosulfonic acid. The ion exchange capacity (IEC) values of the PEMs ranging from 1.5 to 2.8 meq/g were obtained. The PEMs made from the styrene/DVB grafted membranes showed higher chemical stability than those of the styrene grafted membranes under oxidative circumstance

Recent Progress on the Key Materials and Components for Proton Exchange Membrane Fuel Cells in Vehicle Applications

Directory of Open Access Journals (Sweden)

Cheng Wang

2016-07-01

Full Text Available Fuel cells are the most clean and efficient power source for vehicles. In particular, proton exchange membrane fuel cells (PEMFCs are the most promising candidate for automobile applications due to their rapid start-up and low-temperature operation. Through extensive global research efforts in the latest decade, the performance of PEMFCs, including energy efficiency, volumetric and mass power density, and low temperature startup ability, have achieved significant breakthroughs. In 2014, fuel cell powered vehicles were introduced into the market by several prominent vehicle companies. However, the low durability and high cost of PEMFC systems are still the main obstacles for large-scale industrialization of this technology. The key materials and components used in PEMFCs greatly affect their durability and cost. In this review, the technical progress of key materials and components for PEMFCs has been summarized and critically discussed, including topics such as the membrane, catalyst layer, gas diffusion layer, and bipolar plate. The development of high-durability processing technologies is also introduced. Finally, this review is concluded with personal perspectives on the future research directions of this area.

Improving the Conductivity of Sulfonated Polyimides as Proton Exchange Membranes by Doping of a Protic Ionic Liquid

Directory of Open Access Journals (Sweden)

Bor-Kuan Chen

2014-10-01

Full Text Available Proton exchange membranes (PEMs are a key component of a proton exchange membrane fuel cell. Sulfonated polyimides (SPIs were doped by protic ionic liquid (PIL to prepare composite PEMs with substantially improved conductivity. SPIs were synthesized from diamine, 2,2-bis[4-(4-amino-phenoxyphenyl]propane (BAPP, sulfonated diamine, 4,4'-diamino diphenyl ether-2,2'-disulfonic acid (ODADS and aromatic anhydride. BAPP improved the mechanical and thermal properties of SPIs, while ODADS enhanced conductivity. A PIL, 1-vinylimidazolium trifluoromethane-sulfonate ([VIm][OTf], was utilized. [VIm][OTf] offered better conductivity, which can be attributed to its vinyl chemical structure attached to an imidazolium ring that contributed to ionomer-PIL interactions. We prepared sulfonated polyimide/ionic liquid (SPI/IL composite PEMs using 50 wt% [VIm][OTf] with a conductivity of 7.17 mS/cm at 100 °C, and in an anhydrous condition, 3,3',4,4'-diphenyl sulfone tetracarboxylic dianhydride (DSDA was used in the synthesis of SPIs, leading to several hundred-times improvement in conductivity compared to pristine SPIs.

Analysis performance of proton exchange membrane fuel cell (PEMFC)

Science.gov (United States)

Mubin, A. N. A.; Bahrom, M. H.; Azri, M.; Ibrahim, Z.; Rahim, N. A.; Raihan, S. R. S.

2017-06-01

Recently, the proton exchange membrane fuel cell (PEMFC) has gained much attention to the technology of renewable energy due to its mechanically ideal and zero emission power source. PEMFC performance reflects from the surroundings such as temperature and pressure. This paper presents an analysis of the performance of the PEMFC by developing the mathematical thermodynamic modelling using Matlab/Simulink. Apart from that, the differential equation of the thermodynamic model of the PEMFC is used to explain the contribution of heat to the performance of the output voltage of the PEMFC. On the other hand, the partial pressure equation of the hydrogen is included in the PEMFC mathematical modeling to study the PEMFC voltage behaviour related to the input variable input hydrogen pressure. The efficiency of the model is 33.8% which calculated by applying the energy conversion device equations on the thermal efficiency. PEMFC’s voltage output performance is increased by increasing the hydrogen input pressure and temperature.

Dependence of the Spin Transfer Torque Switching Current Density on the Exchange Stiffness Constant

OpenAIRE

You, Chun-Yeol

2012-01-01

We investigate the dependence of the switching current density on the exchange stiffness constant in the spin transfer torque magnetic tunneling junction structure with micromagnetic simulations. Since the widely accepted analytic expression of the switching current density is based on the macro-spin model, there is no dependence of the exchange stiffness constant. When the switching is occurred, however, the spin configuration forms C-, S-type, or complicated domain structures. Since the spi...

Diluted melt proton exchange slab waveguides in LiNbO3: A new fabrication and characterization method

DEFF Research Database (Denmark)

Veng, Torben; Skettrup, Torben

1997-01-01

A method of dilute-melt proton exchange employing a mixture of glycerol and KHSO4 with lithium benzoate added is used to fabricate planar waveguides in c-cut LiNbO3. With this exchange melt system the waveguide refractive index profiles can be fabricated with a high degree of reproducibility...... the waveguide refractive index profile from the measured mode indices is introduced. The main advantage of this characterization method compared with other methods is that it also applies to single-mode waveguides. Using the new characterization method we investigate in detail the relation between waveguide...

Analysis of proton exchange membrane fuel cell catalyst layers for reduction of platinum loading at Nissan

International Nuclear Information System (INIS)

Ohma, Atsushi; Mashio, Tetsuya; Sato, Kazuyuki; Iden, Hiroshi; Ono, Yoshitaka; Sakai, Kei; Akizuki, Ken; Takaichi, Satoshi; Shinohara, Kazuhiko

2011-01-01

The biggest issue that must be addressed in promoting widespread use of fuel cell vehicles (FCVs) is to reduce the cost of the fuel cell system. Especially, it is of vital importance to reduce platinum (Pt) loading of catalyst layers (CLs) in the membrane electrode assembly (MEA) of a proton exchange membrane fuel cell (PEMFC). In order to lower the Pt loading of the MEA, mass transport of reactants related to the performance in high current density should be enhanced significantly as well as kinetics of the catalyst, which can result in the better Pt utilization and effectiveness. In this study, we summarized our analytical approach and methods for reduction of Pt loading in CLs. Microstructure, mass transport properties of the reactants, and their relation in CLs were elucidated by applying experimental analyses and computational methods. A simple CL model for I–V performance prediction was then established, where experimentally elucidated parameters of the microstructure and the properties in CLs were taken into account. Finally, we revealed the impact of lowering the Pt loading on the transport properties, polarization, and the I–V performance.

Modeling the performance of hydrogen-oxygen unitized regenerative proton exchange membrane fuel cells for energy storage

Science.gov (United States)

Guarnieri, Massimo; Alotto, Piergiorgio; Moro, Federico

2015-11-01

Thanks to the independent sizing of power and energy, hydrogen-based energy storage is one of the very few technologies capable of providing long operational times in addition to the other advantages offered by electrochemical energy storage, for example scalability, site versatility, and mobile service. The typical design consists of an electrolyzer in charge mode and a separate fuel cell in discharge mode. Instead, a unitized regenerative fuel cell (URFC) is a single device performing both energy conversions, achieving a higher compactness and power-to-weight ratio. This paper presents a performance model of a URFC based on a proton exchange membrane (PEM) electrolyte and working on hydrogen and oxygen, which can provide high energy and power densities (>0.7 W cm-2). It provides voltage, power, and efficiency at varying load conditions as functions of the controlling physical quantities: temperature, pressure, concentration, and humidification. The model constitutes a tool for designing the interface and control sub-system as well as for exploring optimized cell/stack designs and operational conditions. To date, only a few of such analyses have been carried out and more research is needed in order to explore the true potential of URFCs.

Effect of flow field with converging and diverging channels on proton exchange membrane fuel cell performance

International Nuclear Information System (INIS)

Zehtabiyan-Rezaie, Navid; Arefian, Amir; Kermani, Mohammad J.; Noughabi, Amir Karimi; Abdollahzadeh, M.

2017-01-01

Highlights: • Effect of converging and diverging channels on fuel cell performance. • Over rib flow is observed from converging channels to neighbors. • Proposed flow field enriches oxygen level and current density in catalyst layer. • Net output power is enhanced more than 16% in new flow field. - Abstract: In this study, a novel bipolar flow field design is proposed. This new design consists of placed sequentially converging and diverging channels. Numerical simulation of cathode side is used to investigate the effects of converging and diverging channels on the performance of proton exchange membrane fuel cells. Two models of constant and variable sink/source terms were implemented to consider species consumption and production. The distribution of oxygen mole fraction in gas diffusion and catalyst layers as a result of transverse over rib velocity is monitored. The results indicate that the converging channels feed two diverging neighbors. This phenomenon is a result of the over rib velocity which is caused by the pressure difference between the neighboring channels. The polarization curves show that by applying an angle of 0.3° to the channels, the net electrical output power increases by 16% compared to the base case.

Forward two-photon exchange in elastic lepton-proton scattering and hyperfine-splitting correction

Energy Technology Data Exchange (ETDEWEB)

Tomalak, Oleksandr [Johannes Gutenberg Universitaet, Institut fuer Kernphysik and PRISMA Cluster of Excellence, Mainz (Germany)

2017-08-15

We relate the forward two-photon exchange (TPE) amplitudes to integrals of the inclusive lepton-proton scattering cross sections. These relations yield an alternative way for the evaluation of the TPE correction to hyperfine-splitting (HFS) in the hydrogen-like atoms with an equivalent to the standard approach (Iddings, Drell and Sullivan) result implying the Burkhardt-Cottingham sum rule. For evaluation of the individual effects (e.g., elastic contribution) our approach yields a distinct result. We compare both methods numerically on examples of the elastic contribution and the full TPE correction to HFS in electronic and muonic hydrogen. (orig.)

Effect of sulfonated carbon nanofiber-supported Pt on performance of Nafion {sup registered} -based self-humidifying composite membrane for proton exchange membrane fuel cell

Energy Technology Data Exchange (ETDEWEB)

Hung, T.F. [Department of Chemistry and Center for Nanotechnology, Chung Yuan Christian University, 200 Chung Pei Rd., Chung-Li, 32023 (China); Department of Chemistry, National Taiwan University, No. 1, Sec. 4, Roosevelt Road, Taipei, 10617 (China); Liao, S.H.; Li, C.Y.; Chen-Yang, Y.W. [Department of Chemistry and Center for Nanotechnology, Chung Yuan Christian University, 200 Chung Pei Rd., Chung-Li, 32023 (China)

2011-01-01

In the present study, the Nafion {sup registered} -based self-humidifying composite membrane (N-SHCM) with sulfonated carbon nanofiber-supported Pt (s-Pt/CNF) catalyst, N-s-Pt/CNF, is successfully prepared using the solution-casting method. The scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) images of N-s-Pt/CNF indicate that s-Pt/CNF is well dispersed in the Nafion {sup registered} matrix due to the good compatibility between Nafion {sup registered} and s-Pt/CNF. Compared with those of the non-sulfonated Pt/CNF-containing N-SHCM, N-Pt/CNF, the properties of N-s-Pt/CNF, including electronic resistivity, ion-exchange capacity (IEC), water uptake, dimensional stability, and catalytic activity, significantly increase. The maximum power density of the proton exchange membrane fuel cell (PEMFC) fabricated with N-s-Pt/CNF operated at 50 C under dry H{sub 2}/O{sub 2} condition is about 921 mW cm{sup -2}, which is approximately 34% higher than that with N-Pt/CNF. (author)

Sulfonated Holey Graphene Oxide (SHGO) Filled Sulfonated Poly(ether ether ketone) Membrane: The Role of Holes in the SHGO in Improving Its Performance as Proton Exchange Membrane for Direct Methanol Fuel Cells.

Science.gov (United States)

Jiang, Zhong-Jie; Jiang, Zhongqing; Tian, Xiaoning; Luo, Lijuan; Liu, Meilin

2017-06-14

Sulfonated holey graphene oxides (SHGOs) have been synthesized by the etching of sulfonated graphene oxides with concentrated HNO 3 under the assistance of ultrasonication. These SHGOs could be used as fillers for the sulfonated aromatic poly(ether ether ketone) (SPEEK) membrane. The obtained SHGO-incorporated SPEEK membrane has a uniform and dense structure, exhibiting higher performance as proton exchange membranes (PEMs), for instance, higher proton conductivity, lower activation energy for proton conduction, and comparable methanol permeability, as compared to Nafion 112. The sulfonated graphitic structure of the SHGOs is believed to be one of the crucial factors resulting in the higher performance of the SPEEK/SHGO membrane, since it could increase the local density of the -SO 3 H groups in the membrane and induce a strong interfacial interaction between SHGO and the SPEEK matrix, which improve the proton conductivity and lower the swelling ratio of the membrane, respectively. Additionally, the proton conductivity of the membrane could be further enhanced by the presence of the holes in the graphitic planes of the SHGOs, since it provides an additional channel for transport of the protons. When used, direct methanol fuel cell with the SPEEK/SHGO membrane is found to exhibit much higher performance than that with Nafion 112, suggesting potential use of the SPEEK/SHGO membrane as the PEMs.

Simultaneous measurement of current and temperature distributions in a proton exchange membrane fuel cell during cold start processes

International Nuclear Information System (INIS)

Jiao Kui; Alaefour, Ibrahim E.; Karimi, Gholamreza; Li Xianguo

2011-01-01

Cold start is critical to the commercialization of proton exchange membrane fuel cell (PEMFC) in automotive applications. Dynamic distributions of current and temperature in PEMFC during various cold start processes determine the cold start characteristics, and are required for the optimization of design and operational strategy. This study focuses on an investigation of the cold start characteristics of a PEMFC through the simultaneous measurements of current and temperature distributions. An analytical model for quick estimate of purging duration is also developed. During the failed cold start process, the highest current density is initially near the inlet region of the flow channels, then it moves downstream, reaching the outlet region eventually. Almost half of the cell current is produced in the inlet region before the cell current peaks, and the region around the middle of the cell has the best survivability. These two regions are therefore more important than other regions for successful cold start through design and operational strategy, such as reducing the ice formation and enhancing the heat generation in these two regions. The evolution of the overall current density distribution over time remains similar during the successful cold start process; the current density is the highest near the flow channel inlets and generally decreases along the flow direction. For both the failed and the successful cold start processes, the highest temperature is initially in the flow channel inlet region, and is then around the middle of the cell after the overall peak current density is reached. The ice melting and liquid formation during the successful cold start process have negligible influence on the general current and temperature distributions.

Evaluation of performance enhancement by condensing the anode moisture in a proton exchange membrane fuel cell stack

International Nuclear Information System (INIS)

Zhang, Shouzhen; Chen, Ben; Shu, Peng; Luo, Maji; Xie, Changjun; Quan, Shuhai; Tu, Zhengkai; Yu, Yi

2017-01-01

Highlights: • Anode Moisture condensing is introduced into a PEMFC stack. • Performance improves at high current density and high stack temperature after AMC. • MEA is dehydrated and poor performance occurs at low current density during AMC. - Abstract: Water management is an important issue for proton exchange membrane fuel cells. Back-diffusion of water from cathode to anode often occurs due to the differences in concentration and pressure during operation of fuel cell, resulting in the flooding and severe carbon corrosion in the cathode. Herein, we report a novel method of anode moisture condensing (AMC) in which a condenser is set at the outlet of the anode to cool down the anode moisture. With the help of AMC, liquid water is condensed from the moisture due to the variation of the saturated pressure of water vapor, which can accelerate the evaporating of the liquid water inside the anode and mitigate the probability of water flooding. A ten-cell stack with a condenser at the outlet of the anode is fabricated to systematically investigate the effects of the stack temperature and flow rate on the stack performance. The result shows that the PEMFC performance can be greatly improved at high current density and high operation temperature under the condition of AMC. The stack exhibits very similar performance before and after application of AMC below 500 mA cm"−"2, whereas the output power increases from 405 W to 436 W at 600 mA cm"−"2 at 65 °C. With further increase in operation temperature to 80 °C, the average voltage increases from 0.598 V to 0.641 V even at 500 mA cm"−"2. Moreover, the application of AMC can speed up the water evaporation, leading to the dehydration of the membrane and thus poor performance of PEMFC at low current density.

Folding model study of the charge-exchange scattering to the isobaric analog state and implication for the nuclear symmetry energy

International Nuclear Information System (INIS)

Khoa, Dao T.; Thang, Dang Ngoc; Loc, Bui Minh

2014-01-01

The Fermi transition (ΔL = ΔS = 0 and ΔT = 1) between the nuclear isobaric analog states (IAS), induced by the charge-exchange (p, n) or ( 3 He, t) reaction, can be considered as ''elastic'' scattering of proton or 3 He by the isovector term of the optical potential (OP) that flips the projectile isospin. The accurately measured (p, n) or ( 3 He, t) scattering cross section to the IAS can be used, therefore, to probe the isospin dependence of the proton or 3 He optical potential. Within the folding model, the isovector part of the OP is determined exclusively by the neutron-proton difference in the nuclear densities and the isospin dependence of the effective nucleon-nucleon (NN) interaction. Because the isovector coupling explicitly links the isovector part of the proton or 3 He optical potential to the cross section of the charge-exchange (p, n) or ( 3 He, t) scattering to the IAS, the isospin dependence of the effective (in-medium) NN interaction can be well tested in the folding model analysis of these charge-exchange reactions. On the other hand, the same isospin- and density-dependent NN interaction can also be used in a Hartree-Fock calculation of asymmetric nuclear matter, to estimate the nuclear matter energy and its asymmetry part (the nuclear symmetry energy). As a result, the fine-tuning of the isospin dependence of the effective NN interaction against the measured (p, n) or ( 3 He, t) cross sections should allow us to make some realistic prediction of the nuclear symmetry energy and its density dependence. (orig.)

Interfacial Water-Transport Effects in Proton-Exchange Membranes

Energy Technology Data Exchange (ETDEWEB)

Kienitz, Brian; Yamada, Haruhiko; Nonoyama, Nobuaki; Weber, Adam

2009-11-19

It is well known that the proton-exchange membrane is perhaps the most critical component of a polymer-electrolyte fuel cell. Typical membranes, such as Nafion(R), require hydration to conduct efficiently and are instrumental in cell water management. Recently, evidence has been shown that these membranes might have different interfacial morphology and transport properties than in the bulk. In this paper, experimental data combined with theoretical simulations will be presented that explore the existence and impact of interfacial resistance on water transport for Nafion(R) 21x membranes. A mass-transfer coefficient for the interfacial resistance is calculated from experimental data using different permeation cells. This coefficient is shown to depend exponentially on relative humidity or water activity. The interfacial resistance does not seem to exist for liquid/membrane or membrane/membrane interfaces. The effect of the interfacial resistance is to flatten the water-content profiles within the membrane during operation. Under typical operating conditions, the resistance is on par with the water-transport resistance of the bulk membrane. Thus, the interfacial resistance can be dominant especially in thin, dry membranes and can affect overall fuel-cell performance.

Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shaoguang; Appel, Aaron M.; Bullock, R. Morris

2017-05-18

Controlling the heterolytic cleavage of the H-H bond of dihydrogen is critically important in catalytic hydrogenations and in the catalytic oxidation of H2. We show how the rate of reversible heterolytic cleavage of H2 can be controlled over nearly four orders of magnitude at 25 °C, from 2.1 × 103 s-1 to ≥107 s-1. Bifunctional Mo complexes, [CpMo(CO)(κ3-P2N2)]+ (P2N2 = 1,5-diaza-3,7-diphosphacyclooctane with alkyl/aryl groups on N and P), have been developed for heterolytic cleavage of H2 into a proton and a hydride, akin to Frustrated Lewis Pairs. The H-H bond cleavage is enabled by the basic amine in the second coordination sphere. The products of heterolytic cleavage of H2, Mo hydride complexes bearing protonated amines, [CpMo(H)(CO)(P2N2H)]+, were characterized by spectroscopic studies and by X-ray crystallography. Variable temperature 1H, 15N and 2-D 1H-1H ROESY NMR spectra indicated rapid exchange of the proton and hydride. The exchange rates are in the order [CpMo(H)(CO)(PPh2NPh2H)]+ > [CpMo(H)(CO)(PtBu2NPh2H)]+ > [CpMo(H)(CO)(PPh2NBn2H)]+ > [CpMo(H)(CO)(PtBu2NBn2H)]+ > [CpMo(H)(CO)(PtBu2NtBu2H)]+. The pKa values determined in acetonitrile range from 9.3 to 17.7, and show a linear correlation with the logarithm of the exchange rates. Thus the exchange dynamics are controlled through the relative acidity of the [CpMo(H)(CO)(P2N2H)]+ and [CpMo(H2)(CO)(P2N2)]+ isomers, providing a design principle for controlling heterolytic cleavage of H2.

Durability and Performance of Polystyrene-b-Poly(vinylbenzyl trimethylammonium) Diblock Copolymer and Equivalent Blend Anion Exchange Membranes

Science.gov (United States)

2015-01-01

requiring circulation of the electrolyte to filter out the carbonate solids. The superior power density of proton exchange membrane fuel cells ( PEMFC ...without requir- ing a CO2 free oxidant stream, prevented commercial develop- ment of the liquid AFC, allowing PEMFCs to dominate low temperature fuel...cell research and development. PEMFCs employ a solid acidic polymer to transport protons from anode to cathode. PEMs have been researched heavily the

Continual Energy Management System of Proton Exchange Membrane Fuel Cell Hybrid Power Electric Vehicles

Directory of Open Access Journals (Sweden)

Ren Yuan

2016-01-01

Full Text Available Current research status in energy management of Proton Exchange Membrane (PEM fuel cell hybrid power electric vehicles are first described in this paper, and then build the PEMFC/ lithium-ion battery/ ultra-capacitor hybrid system model. The paper analysis the key factors of the continuous power available in PEM fuel cell hybrid power electric vehicle and hybrid power system working status under different driving modes. In the end this paper gives the working flow chart of the hybrid power system and concludes the three items of the system performance analysis.

Double Polarized Neutron-Proton Scattering and Meson-Exchange Nucleon-Nucleon Potential Models

International Nuclear Information System (INIS)

Raichle, B.W.; Gould, C.R.; Haase, D.G.; Seely, M.L.; Walston, J.R.; Tornow, W.; Wilburn, W.S.; Raichle, B.W.; Gould, C.R.; Haase, D.G.; Seely, M.L.; Walston, J.R.; Tornow, W.; Wilburn, W.S.; Penttilae, S.I.; Hoffmann, G.W.

1999-01-01

We report on polarized beam - polarized target measurements of the spin-dependent neutron-proton total cross-section differences in longitudinal and transverse geometries (Δσ L and Δσ T , respectively) between E n =5 and 20MeV. Single-parameter phase-shift analyses were performed to extract the phase-shift mixing parameter var-epsilon 1 , which characterizes the strength of the nucleon-nucleon tensor interaction at low energies. Consistent with the trend of previous determinations at E n =25 and 50MeV, our values for var-epsilon 1 imply a stronger tensor force than predicted by meson-exchange nucleon-nucleon potential models and nucleon-nucleon phase-shift analyses. copyright 1999 The American Physical Society

Development of a proton exchange membrane fuel cell cogeneration system

Energy Technology Data Exchange (ETDEWEB)

Hwang, Jenn Jiang; Zou, Meng Lin [Department of Greenergy, National University of Tainan, Tainan 700 (China)

2010-05-01

A proton exchange membrane fuel cell (PEMFC) cogeneration system that provides high-quality electricity and hot water has been developed. A specially designed thermal management system together with a microcontroller embedded with appropriate control algorithm is integrated into a PEM fuel cell system. The thermal management system does not only control the fuel cell operation temperature but also recover the heat dissipated by FC stack. The dynamic behaviors of thermal and electrical characteristics are presented to verify the stability of the fuel cell cogeneration system. In addition, the reliability of the fuel cell cogeneration system is proved by one-day demonstration that deals with the daily power demand in a typical family. Finally, the effects of external loads on the efficiencies of the fuel cell cogeneration system are examined. Results reveal that the maximum system efficiency was as high as 81% when combining heat and power. (author)

Effect of Thermospheric Neutral Density upon Inner Trapped-belt Proton Flux

Science.gov (United States)

Wilson, Thomas L.; Lodhi, M. A. K.; Diaz, Abel B.

2007-01-01

We wish to point out that a secular change in the Earth's atmospheric neutral density alters charged-particle lifetime in the inner trapped radiation belts, in addition to the changes recently reported as produced by greenhouse gases. Heretofore, changes in neutral density have been of interest primarily because of their effect on the orbital drag of satellites. We extend this to include the orbital lifetime of charged particles in the lower radiation belts. It is known that the charged-belt population is coupled to the neutral density of the atmosphere through changes induced by solar activity, an effect produced by multiple scattering off neutral and ionized atoms along with ionization loss in the thermosphere where charged and neutral populations interact. It will be shown here that trapped-belt flux J is bivariant in energy E and thermospheric neutral density , as J(E,rho). One can conclude that proton lifetimes in these belts are also directly affected by secular changes in the neutral species populating the Earth s thermosphere. This result is a consequence of an intrinsic property of charged-particle flux, that flux is not merely a function of E but is dependent upon density rho when a background of neutrals is present.

Antimony Doped Tin Oxides and Their Composites with Tin pyrophosphates as Catalyst Supports for Oxygen Evolution Reaction in Proton Exchange Membrane Water Electrolysis

DEFF Research Database (Denmark)

Xu, Junyuan; Li, Qingfeng; Christensen, Erik

2012-01-01

Proton exchange membrane water electrolysers operating at typically 80 °C or at further elevated temperatures suffer from insufficient catalyst activity and durability. In this work, antimony doped tin oxide nanoparticles were synthesized and further doped with an inorganic proton conducting phase...... based on tin pyrophosphates as the catalyst support. The materials showed an overall conductivity of 0.57 S cm−1 at 130 °C under the water vapor atmosphere with a contribution of the proton conduction. Using this composite support, iridium oxide nanoparticle catalysts were prepared and characterized...

Spin-density functional for exchange anisotropic Heisenberg model

International Nuclear Information System (INIS)

Prata, G.N.; Penteado, P.H.; Souza, F.C.; Libero, Valter L.

2009-01-01

Ground-state energies for antiferromagnetic Heisenberg models with exchange anisotropy are estimated by means of a local-spin approximation made in the context of the density functional theory. Correlation energy is obtained using the non-linear spin-wave theory for homogeneous systems from which the spin functional is built. Although applicable to chains of any size, the results are shown for small number of sites, to exhibit finite-size effects and allow comparison with exact-numerical data from direct diagonalization of small chains.

Estimation of the exchange current density and comparative analysis of morphology of electrochemically produced lead and zinc deposits

Directory of Open Access Journals (Sweden)

Nikolić Nebojša D.

2017-01-01

Full Text Available The processes of lead and zinc electrodeposition from the very dilute electrolytes were compared by the analysis of polarization characteristics and by the scanning electron microscopic (SEM analysis of the morphology of the deposits obtained in the galvanostatic regime of electrolysis. The exchange current densities for lead and zinc were estimated by comparison of experimentally obtained polarization curves with the simulated ones obtained for the different the exchange current density to the limiting diffusion current density ratios. Using this way for the estimation of the exchange current density, it is shown that the exchange current density for Pb was more than 1300 times higher than the one for Zn. In this way, it is confirmed that the Pb electrodeposition processes are considerably faster than the Zn electrodeposition processes. The difference in the rate of electrochemical processes was confirmed by a comparison of morphologies of lead and zinc deposits obtained at current densities which corresponded to 0.25 and 0.50 values of the limiting diffusion current densities. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. 172046

Thermal and water management of low temperature Proton Exchange Membrane Fuel Cell in fork-lift truck power system

International Nuclear Information System (INIS)

Hosseinzadeh, Elham; Rokni, Masoud; Rabbani, Abid; Mortensen, Henrik Hilleke

2013-01-01

Highlights: ► Developing a general zero dimensional Proton Exchange Membrane Fuel Cell (PEMFC) model for a forklift. ► System performance with different cooling fluids. ► Water and thermal management of fuel cell system. ► Effect of inlet temperature, outlet temperature and temperature gradient on system performance. - Abstract: A general zero-dimensional Proton Exchange Membrane Fuel Cell (PEMFC) model has been developed for forklift truck application. The balance of plant (BOP) comprises of a compressor, an air humidifier, a set of heat exchangers and a recirculation pump. Water and thermal management of the fuel cell stack and BOP has been investigated in this study. The results show that humidification of the inlet air is of great importance. By decreasing the relative humidity of inlet air from 95% to 25%, the voltage can drop by 29%. In addition, elevated stack temperature can lead to a higher average cell voltage when membrane is fully hydrated otherwise it causes a drastic voltage drop in the stack. Furthermore, by substituting liquid water with water–ethylene glycol mixture of 50%, the mass flow of coolant increases by about 32–33% in the inner loop and 60–65% in the outer loop for all ranges of current. The system can then be started up at about −25 °C with negligible change in the efficiency

“Hot cross bun” sign in multiple system atrophy with predominant cerebellar ataxia: A comparison between proton density-weighted imaging and T2-weighted imaging

Energy Technology Data Exchange (ETDEWEB)

Kasahara, Seiko, E-mail: nuun077@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Miki, Yukio, E-mail: yukio.miki@med.osaka-cu.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Department of Radiology, Osaka City University Graduate School of Medicine, 1-4-3 Asahi-machi, Abeno-ku, Osaka 545–8585 (Japan); Kanagaki, Mitsunori, E-mail: mitsuk@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Kondo, Takayuki, E-mail: kondotak@kuhp.kyoto-u.ac.jp [Department of Neurology, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Yamamoto, Akira, E-mail: yakira@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Morimoto, Emiko, E-mail: foresta@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Okada, Tomohisa, E-mail: tomokada@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Ito, Hidefumi, E-mail: itohid@kuhp.kyoto-u.ac.jp [Department of Neurology, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); Takahashi, Ryosuke, E-mail: ryosuket@kuhp.kyoto-u.ac.jp [Department of Neurology, Kyoto University Graduate School of Medicine, 54 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507 (Japan); and others

2012-10-15

Objective: To investigate whether proton density-weighted imaging can detect the “hot cross bun” sign in the pons in multiple system atrophy with predominant cerebellar ataxia significantly better than T2-weighted imaging at 3 T. Methods: Sixteen consecutive patients with multiple system atrophy with predominant cerebellar ataxia according to the Consensus Criteria were reviewed. Axial unenhanced proton density-weighted imaging and T2-weighted imaging were obtained using a dual-echo fast spin-echo sequence at 3 T. Two neuroradiologists independently evaluated visualisation of the abnormal pontine signal using a 4-point visual grade from Grade 0 (no “hot cross bun” sign) to Grade 3 (prominent “hot cross bun” sign on two or more sequential slices). Differences in grade between proton density-weighted imaging and T2-weighted imaging were statistically analysed using the Wilcoxon signed-rank test. Results: In 11 patients (69%), a higher grade was given for proton density-weighted imaging than T2-weighted imaging. In 1 patient (6%), grades were the same (Grade 3) on both images. In the remaining 4 patients (25%), signal abnormalities were not detected on either image (Grade 0). The “hot cross bun” sign was thus observed significantly better on proton density-weighted imaging than on T2-weighted imaging (P = 0.001). Conclusions: The “hot cross bun” sign considered diagnostic for multiple system atrophy with predominant cerebellar ataxia is significantly better visualised on proton density-weighted imaging than on T2-weighted imaging at 3 T.

Surface composition of magnetron sputtered Pt-Co thin film catalyst for proton exchange membrane fuel cells

Energy Technology Data Exchange (ETDEWEB)

Vorokhta, Mykhailo, E-mail: vorohtam@gmail.com [Charles University in Prague, Faculty of Mathematics and Physics, Department of Surface and Plasma Science, V Holešovičkách 2, 18000 Prague (Czech Republic); Khalakhan, Ivan; Václavů, Michal [Charles University in Prague, Faculty of Mathematics and Physics, Department of Surface and Plasma Science, V Holešovičkách 2, 18000 Prague (Czech Republic); Kovács, Gábor; Kozlov, Sergey M. [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/ Martí i Franquès 1, 08028 Barcelona (Spain); Kúš, Peter; Skála, Tomáš; Tsud, Natalia; Lavková, Jaroslava [Charles University in Prague, Faculty of Mathematics and Physics, Department of Surface and Plasma Science, V Holešovičkách 2, 18000 Prague (Czech Republic); Potin, Valerie [Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS-Université Bourgogne, 9 Av. A. Savary, BP 47870, F-21078 Dijon Cedex (France); and others

2016-03-01

Graphical abstract: - Highlights: • Nanostructured Pt-Co thin catalyst films were grown on carbon by magnetron sputtering. • The surface composition of the nanostructured Pt-Co films was investigated by surface analysis techniques. • We carried out modeling of Pt-Co nanoalloys by computational methods. • Both experiment and modeling based on density functional theory showed that the surface of Pt-Co nanoparticles is almost exclusively composed of Pt atoms. - Abstract: Recently we have tested a magnetron sputtered Pt-Co catalyst in a hydrogen-fed proton exchange membrane fuel cell and showed its high catalytic activity for the oxygen reduction reaction. Here we present further investigation of the magnetron sputtered Pt-Co thin film catalyst by both experimental and theoretical methods. Scanning electron microscopy and transmission electron microscopy experiments confirmed the nanostructured character of the catalyst. The surface composition of as-deposited and annealed at 773 K Pt-Co films was investigated by surface analysis techniques, such as synchrotron radiation photoelectron spectroscopy and X-ray photoelectron spectroscopy. Modeling based on density functional theory showed that the surface of 6 nm large 1:1 Pt-Co nanoparticles is almost exclusively composed of Pt atoms (>90%) at typical operation conditions and the Co content does not exceed 20% at 773 K, in agreement with the experimental characterization of such films annealed in vacuum. According to experiment, the density of valence states of surface atoms in Pt-Co nanostructures is shifted by 0.3 eV to higher energies, which can be associated with their higher activity in the oxygen reduction reaction. The changes in electronic structure caused by alloying are also reflected in the measured Pt 4f, Co 3p and Co 2p photoelectron peak binding energies.

Enhanced performance of proton exchange membrane fuel cell by introducing nitrogen-doped CNTs in both catalyst layer and gas diffusion layer

CSIR Research Space (South Africa)

Hou, S

2017-11-01

Full Text Available The performance of the proton exchange membrane fuel cell (PEMFC) is significantly improved through introducing nitrogen-doped carbon nanotubes (NCNTs) into the catalyst layer (CL) and microporous layer (MPL) of the membrane electrode assembly (MEA...

Transport of protons and lactate in cultured human fetal retinal pigment epithelial cells

DEFF Research Database (Denmark)

Hamann, Steffen; Cour, Morten la; Ming Lui, Ge

2000-01-01

Electron microscopy, intracellular pH, monocarboxylate transport, pigment epithelium of eye, proton-lactate cotransport, retinal metabolism, sodium/proton exchange......Electron microscopy, intracellular pH, monocarboxylate transport, pigment epithelium of eye, proton-lactate cotransport, retinal metabolism, sodium/proton exchange...

Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

Science.gov (United States)

Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

2016-06-21

We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results.

Channel geometric scales effect on performance and optimization for serpentine proton exchange membrane fuel cell (PEMFC)

Science.gov (United States)

Youcef, Kerkoub; Ahmed, Benzaoui; Ziari, Yasmina; Fadila, Haddad

2017-02-01

A three dimensional computational fluid dynamics model is proposed in this paper to investigate the effect of flow field design and dimensions of bipolar plates on performance of serpentine proton exchange membrane fuel cell (PEMFC). A complete fuel cell of 25 cm2 with 25 channels have been used. The aim of the work is to investigate the effect of flow channels and ribs scales on overall performance of PEM fuel cell. Therefore, geometric aspect ratio parameter defined as (width of flow channel/width of rib) is used. Influences of the ribs and openings current collector scales have been studied and analyzed in order to find the optimum ratio between them to enhance the production of courant density of PEM fuel cell. Six kind of serpentine designs have been used in this paper included different aspect ratio varying from 0.25 to 2.33 while the active surface area and number of channels are keeping constant. Aspect ratio 0.25 corresponding of (0.4 mm channel width/ 1.6mm ribs width), and Aspect ratio2.33 corresponding of (0.6 mm channel width/ 1.4mm ribs width. The results show that the best flow field designs (giving the maximum density of current) are which there dimensions of channels width is minimal and ribs width is maximal (Γ≈0.25). Also decreasing width of channels enhance the pressure drop inside the PEM fuel cell, this causes an increase of gazes velocity and enhance convection process, therefore more power generation.

Self-Healing Proton-Exchange Membranes Composed of Nafion-Poly(vinyl alcohol) Complexes for Durable Direct Methanol Fuel Cells.

Science.gov (United States)

Li, Yixuan; Liang, Liang; Liu, Changpeng; Li, Yang; Xing, Wei; Sun, Junqi

2018-04-30

Proton-exchange membranes (PEMs) that can heal mechanical damage to restore original functions are important for the fabrication of durable and reliable direct methanol fuel cells (DMFCs). The fabrication of healable PEMs that exhibit satisfactory mechanical stability, enhanced proton conductivity, and suppressed methanol permeability via hydrogen-bonding complexation between Nafion and poly(vinyl alcohol) (PVA) followed by postmodification with 4-carboxybenzaldehyde (CBA) molecules is presented. Compared with pure Nafion, the CBA/Nafion-PVA membranes exhibit enhanced mechanical properties with an ultimate tensile strength of ≈20.3 MPa and strain of ≈380%. The CBA/Nafion-PVA membrane shows a proton conductivity of 0.11 S cm -1 at 80 °C, which is 1.2-fold higher than that of a Nafion membrane. The incorporated PVA gives the CBA/Nafion-PVA membranes excellent proton conductivity and methanol resistance. The resulting CBA/Nafion-PVA membranes are capable of healing mechanical damage of several tens of micrometers in size and restoring their original proton conductivity and methanol resistance under the working conditions of DMFCs. The healing property originates from the reversibility of hydrogen-bonding interactions between Nafion and CBA-modified PVA and the high chain mobility of Nafion and CBA-modified PVA. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Exchange-Mediated Contrast in CEST and Spin-Lock Imaging

Science.gov (United States)

Cobb, Jared Guthrie; Li, Ke; Xie, Jingping; Gochberg, Daniel F.; Gore, John C.

2014-01-01

PURPOSE Magnetic resonance images of biological media based on chemical exchange saturation transfer (CEST) show contrast that depends on chemical exchange between water and other protons. In addition, spin-lattice relaxation rates in the rotating frame (R1ρ) are also affected by exchange, especially at high fields, and can be exploited to provide novel, exchange-dependent contrast. Here, we evaluate and compare the factors that modulate the exchange contrast for these methods using simulations and experiments on simple, biologically relevant samples. METHODS Simulations and experimental measurements at 9.4T of rotating frame relaxation rate dispersion and CEST contrast were performed on solutions of macromolecules containing amide and hydroxyl exchanging protons. RESULTS The simulations and experimental measurements confirm that both CEST and R1ρ measurements depend on similar exchange parameters, but they manifest themselves differently in their effects on contrast. CEST contrast may be larger in the slow and intermediate exchange regimes for protons with large resonant frequency offsets (e.g. > 2ppm). Spin-locking techniques can produce larger contrast enhancement when resonant frequency offsets are small (exchange is in the intermediate to fast regime. The image contrasts scale differently with field strength, exchange rate and concentration. CONCLUSION CEST and R1ρ measurements provide different and somewhat complementary information about exchange in tissues. Whereas CEST can depict exchange of protons with specific chemical shifts, appropriate R1ρ dependent acquisitions can be employed to selectively portray protons of specific exchange rates. PMID:24239335

Exchange-mediated contrast in CEST and spin-lock imaging.

Science.gov (United States)

Cobb, Jared Guthrie; Li, Ke; Xie, Jingping; Gochberg, Daniel F; Gore, John C

2014-01-01

Magnetic resonance images of biological media based on chemical exchange saturation transfer (CEST) show contrast that depends on chemical exchange between water and other protons. In addition, spin-lattice relaxation rates in the rotating frame (R1ρ) are also affected by exchange, especially at high fields, and can be exploited to provide novel, exchange-dependent contrast. Here, we evaluate and compare the factors that modulate the exchange contrast for these methods using simulations and experiments on simple, biologically relevant samples. Simulations and experimental measurements at 9.4 T of rotating frame relaxation rate dispersion and CEST contrast were performed on solutions of macromolecules containing amide and hydroxyl exchanging protons. The simulations and experimental measurements confirm that both CEST and R1ρ measurements depend on similar exchange parameters, but they manifest themselves differently in their effects on contrast. CEST contrast may be larger in the slow and intermediate exchange regimes for protons with large resonant frequency offsets (e.g. >2 ppm). Spin-locking techniques can produce larger contrast enhancement when resonant frequency offsets are small (exchange is in the intermediate-to-fast regime. The image contrasts scale differently with field strength, exchange rate and concentration. CEST and R1ρ measurements provide different and somewhat complementary information about exchange in tissues. Whereas CEST can depict exchange of protons with specific chemical shifts, appropriate R1ρ-dependent acquisitions can be employed to selectively portray protons of specific exchange rates. © 2013.

Microalgae dewatering based on forward osmosis employing proton exchange membrane.

Science.gov (United States)

Son, Jieun; Sung, Mina; Ryu, Hoyoung; Oh, You-Kwan; Han, Jong-In

2017-11-01

In this study, electrically-facilitated forward osmosis (FO) employing proton exchange membrane (PEM) was established for the purpose of microalgae dewatering. An increase in water flux was observed when an external voltage was applied to the FO equipped with the PEM; as expected, the trend became more dramatic with both concentration of draw solution and applied voltage raised. With this FO used for microalgae dewatering, 247% of increase in flux and 86% in final biomass concentration were observed. In addition to the effect on flux improvement, the electrically-facilitated FO exhibited the ability to remove chlorophyll from the dewatered biomass, down to 0.021±0015mg/g cell. All these suggest that the newly suggested electrically-facilitated FO, one particularly employed PEM, can indeed offer a workable way of dewatering of microalgae; it appeared to be so because it can also remove the ever-problematic chlorophyll from extracted lipids in a simultaneous fashion. Copyright © 2017 Elsevier Ltd. All rights reserved.

SU-F-T-136: Breath Hold Lung Phantom Study in Using CT Density Versus Relative Stopping Power Ratio for Proton Pencil Beam Scanning System

Energy Technology Data Exchange (ETDEWEB)

Syh, J; Wu, H; Rosen, L [Willis-Knighton Medical Center, Shreveport, LA (United States)

2016-06-15

Purpose: To evaluate mass density effects of CT conversion table and its variation in current treatment planning system of spot scanning proton beam using an IROC proton lung phantom for this study. Methods: A proton lung phantom study was acquired to Imaging and Radiation Oncology Core Houston (IROC) Quality Assurance Center. Inside the lung phantom, GAF Chromic films and couples of thermal luminescent dosimeter (TLD) capsules embedded in specified PTV and adjacent structures to monitor delivered dosage and 3D dose distribution profiles. Various material such as cork (Lung), blue water (heart), Techron HPV (ribs) and organic material of balsa wood and cork as dosimetry inserts within phantom of solid water (soft tissue). Relative stopping power (RLSP) values were provided. Our treatment planning system (TPS) doesn’t require SP instead relative density was converted relative to water. However lung phantom was irradiated by planning with density override and the results were compared with IROC measurements. The second attempt was conducted without density override and compared with IROC’s. Results: The higher passing rate of imaging and measurement results of the lung phantom irradiation met the criteria by IROC without density override. The film at coronal plane was found to be shift due to inclined cylinder insertion. The converted CT density worked as expected to correlate relative stopping power. Conclusion: The proton lung phantom provided by IROC is a useful tool to qualify our commissioned proton pencil beam delivery with TPS within reliable confidence. The relative mass stopping power ratios of materials were converted from the relative physical density relative to water and the results were satisfied.

Folding model study of the charge-exchange scattering to the isobaric analog state and implication for the nuclear symmetry energy

Energy Technology Data Exchange (ETDEWEB)

Khoa, Dao T.; Thang, Dang Ngoc [VINATOM, Institute for Nuclear Science and Technique, Hanoi (Viet Nam); Loc, Bui Minh [VINATOM, Institute for Nuclear Science and Technique, Hanoi (Viet Nam); University of Pedagogy, Ho Chi Minh City (Viet Nam)

2014-02-15

The Fermi transition (ΔL = ΔS = 0 and ΔT = 1) between the nuclear isobaric analog states (IAS), induced by the charge-exchange (p, n) or ({sup 3}He, t) reaction, can be considered as ''elastic'' scattering of proton or {sup 3}He by the isovector term of the optical potential (OP) that flips the projectile isospin. The accurately measured (p, n) or ({sup 3}He, t) scattering cross section to the IAS can be used, therefore, to probe the isospin dependence of the proton or {sup 3}He optical potential. Within the folding model, the isovector part of the OP is determined exclusively by the neutron-proton difference in the nuclear densities and the isospin dependence of the effective nucleon-nucleon (NN) interaction. Because the isovector coupling explicitly links the isovector part of the proton or {sup 3}He optical potential to the cross section of the charge-exchange (p, n) or ({sup 3}He, t) scattering to the IAS, the isospin dependence of the effective (in-medium) NN interaction can be well tested in the folding model analysis of these charge-exchange reactions. On the other hand, the same isospin- and density-dependent NN interaction can also be used in a Hartree-Fock calculation of asymmetric nuclear matter, to estimate the nuclear matter energy and its asymmetry part (the nuclear symmetry energy). As a result, the fine-tuning of the isospin dependence of the effective NN interaction against the measured (p, n) or ({sup 3}He, t) cross sections should allow us to make some realistic prediction of the nuclear symmetry energy and its density dependence. (orig.)

LINEAR AND NONLINEAR VISCOELASTIC CHARACTERIZATION OF PROTON EXCHANGE MEMBRANES AND STRESS MODELING FOR FUEL CELL APPLICATIONS

OpenAIRE

Patankar, Kshitish A

2009-01-01

In this dissertation, the effect of temperature and humidity on the viscoelastic and fracture properties of proton exchange membranes (PEM) used in fuel cell applications was studied. Understanding and accurately modeling the linear and nonlinear viscoelastic constitutive properties of a PEM are important for making hygrothermal stress predictions in the cyclic temperature and humidity environment of operating fuel cells. In this study, Nafion® NRE 211, Gore-Select® 57, and Ion Power® N111...

Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory

International Nuclear Information System (INIS)

Cauchy, Thomas; Ruiz, Eliseo; Alvarez, Santiago

2006-01-01

Theoretical methods based on density functional theory have been employed to analyze the exchange interactions in an Fe 6 complex. The calculated exchange coupling constants are consistent with an S=5 ground state and agree well with those reported previously for other Fe III polynuclear complexes. Ferromagnetic interactions may appear through exchange pathways formed by two bridging hydroxo or oxo ligands

A proton-exchange membrane prepared by the radiation grafting of styrene and silica into polytetrafluoroethylene films

Science.gov (United States)

Yu, Hongyan; Shi, Jianheng; Zeng, Xinmiao; Bao, Mao; Zhao, Xinqing

2009-07-01

A polytetrafluoroethylene (PTFE) based organic-inorganic hybrid proton-exchange membrane was prepared from simultaneous radiation grafting of styrene (St) into porous PTFE membrane with the in situ sol-gel reaction of tetraethoxysilane (TEOS) followed by sulfonation in fuming sulfonic acid. The effect of radiation on the sol-gel reaction was studied. The results show that radiation promotes the sol-gel reaction with the help of St at room temperature. Incorporated silica gel helps to produce higher degree of grafting (DOG). SEM analysis was conducted to confirm that the inorganic silicon oxide was introduced to produce hybrid membrane in this work. The proton conductivity of membrane evaluated using electrochemical impedance spectroscopy is much higher (14.3×10 -2 S cm -1) than that of Nafion ® 117 at temperature of 80 °C with acceptable water uptake 51 wt%.

Ring-Substituted Benzohydroxamic Acids: 1H, 13C and 15N NMR Spectra and NHOH Proton Exchange

Czech Academy of Sciences Publication Activity Database

Schraml, Jan; Tkadlecová, M.; Pataridis, S.; Soukupová, Ludmila; Blechta, Vratislav; Roithová, Jana; Exner, Otto

2005-01-01

Roč. 43, č. 7 (2005), s. 535-542 ISSN 0749-1581 R&D Projects: GA ČR(CZ) GA203/03/1566; GA AV ČR(CZ) IAA4072605; GA AV ČR(CZ) IAA4072005; GA MŠk(CZ) LB98233 Institutional research plan: CEZ:AV0Z40720504 Keywords : proton exchange * substituent effects * chemical shifts Subject RIV: CC - Organic Chemistry Impact factor: 1.553, year: 2005

Proton-proton Scattering Above 3 GeV/c

Energy Technology Data Exchange (ETDEWEB)

A. Sibirtsev, J. Haidenbauer, H.-W. Hammer S. Krewald ,Ulf-G. Meissner

2010-01-01

A large set of data on proton-proton differential cross sections, analyzing powers and the double-polarization parameter A{sub NN} is analyzed employing the Regge formalism. We find that the data available at proton beam momenta from 3 GeV/c to 50 GeV/c exhibit features that are very well in line with the general characteristics of Regge phenomenology and can be described with a model that includes the {rho}, {omega}, f{sub 2}, and a{sub 2} trajectories and single-Pomeron exchange. Additional data, specifically for spin-dependent observables at forward angles, would be very helpful for testing and refining our Regge model.

Theoretical study of annealed proton-exchanged Nd $LiNbO_{3}$ channel waveguide lasers with variational method

CERN Document Server

De Long Zhang; Yuan Guo Xie; Guilan, Ding; Yuming, Cui; Cai He Chen

2001-01-01

The controllable fabrication parameters, including anneal time, initial exchange time, channel width, dependences of TM/sub 00/ mode size, corresponding effective refractive index, effective pump area, and coupling efficiency between pump and laser modes in z-cut annealed proton-exchanged (APE) Nd:LiNbO/sub 3/ channel waveguide lasers were studied by using variational method. The effect of channel width on the surface index increment and the waveguide depth was taken into account. The features of mode size and effective refractive index were summarized, discussed, and compared with previously published experimental results. The effective pump area, which is directly proportional to threshold pump power, increases strongly, slightly, and very slightly with the increase of anneal time, channel width, and initial exchange time, respectively. However, the coupling efficiency, which is directly proportional to slope efficiency, remains constant (around 0.82) no matter what changes made to these parameters. The var...

Application of proton exchange membrane fuel cells for the monitoring and direct usage of biohydrogen produced by Chlamydomonas reinhardtii

Energy Technology Data Exchange (ETDEWEB)

Oncel, S.; Vardar-Sukan, F. [Department of Bioengineering, Faculty of Engineering, Ege University, 35100 Bornova, Izmir (Turkey)

2011-01-01

Photo-biologically produced hydrogen by Chlamydomonas reinhardtii is integrated with a proton exchange (PEM) fuel cell for online electricity generation. To investigate the fuel cell efficiency, the effect of hydrogen production on the open circuit fuel cell voltage is monitored during 27 days of batch culture. Values of volumetric hydrogen production, monitored by the help of the calibrated water columns, are related with the open circuit voltage changes of the fuel cell. From the analysis of this relation a dead end configuration is selected to use the fuel cell in its best potential. After the open circuit experiments external loads are tested for their effects on the fuel cell voltage and current generation. According to the results two external loads are selected for the direct usage of the fuel cell incorporating with the photobioreactors (PBR). Experiments with the PEM fuel cell generate a current density of 1.81 mA cm{sup -2} for about 50 h with 10 {omega} load and 0.23 mA cm{sup -2} for about 80 h with 100 {omega} load. (author)

Experimental diagnostics and modeling of inductive phenomena at low frequencies in impedance spectra of proton exchange membrane fuel cells

Science.gov (United States)

Pivac, Ivan; Šimić, Boris; Barbir, Frano

2017-10-01

Representation of fuel cell processes by equivalent circuit models, involving resistance and capacitance elements representing activation losses on both anode and cathode in series with resistance representing ohmic losses, cannot capture and explain the inductive loop that may show up at low frequencies in Nyquist diagram representation of the electrochemical impedance spectra. In an attempt to explain the cause of the low-frequency inductive loop and correlate it with the processes within the fuel cell electrodes, a novel equivalent circuit model of a Proton Exchange Membrane (PEM) fuel cell has been proposed and experimentally verified here in detail. The model takes into account both the anode and the cathode, and has an additional resonant loop on each side, comprising of a resistance, capacitance and inductance in parallel representing the processes within the catalyst layer. Using these additional circuit elements, more accurate and better fits to experimental impedance data in the wide frequency range at different current densities, cell temperatures, humidity of gases, air flow stoichiometries and backpressures were obtained.

Comparison of The Performance of Proton Exchange Membrane Fuel Cell (PEMFC Electrodes with Different Carbon Powder Content and Methods of Manufacture

Directory of Open Access Journals (Sweden)

Dedi Rohendi

2016-11-01

Full Text Available Carbon powder in the gas diffusion layer (GDL contained in the membrane electrode assembly (MEA has an important role in the flow of electrons and reactant gas. Meanwhile, the method of making the electrode is one of the many studies conducted to determine the most appropriate method to use. Comparative study of the performance of proton exchange membrane fuel cell (PEMFC electrodes with different carbon powder content (vulcan XC-72 in the GDL and methods of manufacture of the electrode between casting and spraying method has been carried out. The spraying method consists of one layer and three layer of catalyst layer (CL. The content of carbon powder in the GDL as much as 3 mg cm-2 has a better performance compared to 1.5 mg cm-2 with an increase of 177.78% current density at 0.6 V. Meanwhile, the manufacture of CL with three-layer spraying method has better performance compared with one-layer spraying and casting method.

High throughput study of fuel cell proton exchange membranes: Poly(vinylidene fluoride)/acrylic polyelectrolyte blends and nanocomposites with zirconium

Science.gov (United States)

Zapata B., Pedro Jose

Sustainability is perhaps one of the most heard buzzwords in the post-20 th century society; nevertheless, it is not without a reason. Our present practices for energy supply are largely unsustainable if we consider their environmental and social impact. In view of this unfavorable panorama, alternative sustainable energy sources and conversion approaches have acquired noteworthy significance in recent years. Among these, proton exchange membrane fuel cells (PEMFCs) are being considered as a pivotal building block in the transition towards a sustainable energy economy in the 21st century. The polyelectrolyte membrane or proton exchange membrane (PEM) is a vital component, as well as a performance-limiting factor, of the PEMFC. Consequently, the development of high-performance PEM materials is of utmost importance for the advance of the PEMFC field. In this work, alternative PEM materials based on semi-interpenetrated networks from blends of poly(vinyledene fluoride) (PVDF) (inert phase) and sulfonated crosslinked acrylic polyelectrolytes (PE) (proton-conducting phase), as well as tri-phase PVDF/PE/zirconium-based composites, are studied. To alleviate the burden resulting from the vast number of possible combinations of the different precursors utilized in the preparation of the membranes (PVDF: 5x, PE: 2x, Nanoparticle: 3x), custom high-throughput (HT) screening systems have been developed for their characterization. By coupling the data spaces obtained via these systems with the appropriate statistical and data analysis tools it was found that, despite not being directly involved in the proton transport process, the inert PVDF phase plays a major role on proton conductivity. Particularly, a univocal inverse correlation between the PVDF crystalline characteristics (i.e., crystallinity and crystallite size) and melt viscosity, and membrane proton conductivity was discovered. Membranes based on highly crystalline and viscous PVDF homopolymers exhibited reduced proton

Predicting Ionization Rates from SEP and Solar Wind Proton Precipitation into the Martian Atmosphere

Science.gov (United States)

Jolitz, R.; Dong, C.; Lee, C. O.; Curry, S.; Lillis, R. J.; Brain, D.; Halekas, J. S.; Larson, D. E.; Bougher, S. W.; Jakosky, B. M.

2017-12-01

Precipitating energetic particles ionize planetary atmospheres and increase total electron content. At Mars, the solar wind and solar energetic particles (SEPs) can precipitate directly into the atmosphere because solar wind protons can charge exchange to become neutrals and pass through the magnetosheath, while SEPs are sufficiently energetic to cross the magnetosheath unchanged. In this study we will present predicted ionization rates and resulting electron densities produced by solar wind and SEP proton ionization during nominal solar activity and a CME shock front impact event on May 16 2016. We will use the Atmospheric Scattering of Protons and Energetic Neutrals (ASPEN) model to compare ionization by SEP and solar wind protons currently measured by the SWIA (Solar Wind Ion Analyzer) and SEP instruments aboard the MAVEN spacecraft. Results will help to quantify how the ionosphere responds to extreme solar events during solar minimum.

Neutron-proton bremsstrahlung experiments

Energy Technology Data Exchange (ETDEWEB)

Koster, J.E. (Los Alamos National Lab., NM (United States)); Nelson, R.O. (Los Alamos National Lab., NM (United States)); Schillaci, M.E. (Los Alamos National Lab., NM (United States)); Wender, S.A. (Los Alamos National Lab., NM (United States)); Mayo, D. (Univ. of California at Davis, CA (United States)); Brady, F.P. (Univ. of California at Davis, CA (United States)); Romero, J. (Univ. of California at Davis, CA (United States)); Krofcheck, D. (Lawrence Livermore National Lab., CA (United States)); Blann, M. (Lawrence Livermore National Lab., CA (United States)); Anthony, P. (Lawrence Livermore National Lab., CA (United States)); Brown, V.R. (Lawrence Livermore National Lab., CA (United States)); Hansen, L. (Lawrence Livermore National Lab., CA (United States)); Pohl, B. (Lawrence Livermore National Lab., CA (United States)); Sangster, T.C. (Lawrence Livermore National Lab., CA (United States)); Nifenecker, H. (Inst. des Sciences Nucleaires, Grenoble (France)); Pinston,

1993-06-01

It is well known that charged particles emit bremsstrahlung radiation when they are accelerated. Classical electron bremsstrahlung occurs when a proton is emitted by an electron accelerated in the field of a nucleus. The bremsstrahlung process also occurs in the scattering of nucleons, for which it is the lowest energy inelastic process that can occur. Like electron bremsstrahlung, nucleon-nucleon bremsstrahlung also requires the exchange of a virtual particle to conserve energy and momentum. In electron bremsstrahlung a virtual photon is exchanged but with two nucleons a meson can be exchanged. Unlike electron bremsstrahlung, in nucleon-nucleon bremsstrahlung the photon can originate from the exchanged meson. This exchange contribution has been shown in calculations to be a significant fraction of bremsstrahlung events. Thus bremsstrahlung serves as a probe of exchange currents in the nucleon-nucleon interaction. Because of a lack of a free neutron target or an intense neutron beam, few measurements of neutron-proton bremsstrahlung exist, each having poor statistical accuracy and poor energy resolution. The white neutron source at the Weapons Neutron Research (WNR) target area at the Los Alamos Meson Physics Facility (LAMPF) produces neutrons with energies from below 50 to above 400 MeV. Using time-of-flight techniques and a liquid hydrogen target, we are measuring the outgoing photons of energies up to 250 MeV at gamma ray angles of around 90 relative to the incident beam. Protons scattered at very forward angles are also detected in coincidence with the gamma rays. (orig.)

The CERN Super Proton Synchrotron as a tool to study high energy density physics

CERN Document Server

Tahir, N A; Brugger, M; Assmann, R; Shutov, A V; Lomonosov, I V; Piriz, A R; Hoffmann, D H H; Deutsch, C; Fortov3, V E

2008-01-01

An experimental facility named HiRadMat, will be constructed at CERN to study the impact of the 450 GeV c−1 proton beam generated by the Super Proton Synchrotron (SPS) on solid targets. This is designed to study damage caused to the equipment including absorbers, collimators and others in case of an accidental release of the beam energy. This paper presents two-dimensional numerical simulations of target behavior irradiated by the SPS beam. These numerical simulations have shown that the target will be completely destroyed in such an accident, thereby generating high energy density (HED) matter. This study therefore suggests that this facility may also be used for carrying out dedicated experiments to study HED states in matter.

Development and testing of the proton exchange membrane fuel cell (PEMFC) for stationary generation; Desenvolvimento e ensaios de uma celula a combustivel de polimero solido (PEMFC) para geracao estacionaria

Energy Technology Data Exchange (ETDEWEB)

Ellern, Mara; Boccuzzi, Cyro Vicente [ELETROPAULO, Sao Caetano, SP (Brazil)], e-mail: mara.ellern@aes.com; Ett, Gerhard; Saiki, Gerson Yukio; Janolio, Gilberto [ELECTROCELL, Sao Paulo, SP (Brazil); Jardini, Jose Antonio [Universidade de Sao Paulo (USP), SP (Brazil)

2004-07-01

PEM (Proton Exchange Membrane) fuel cell uses a simple chemical reaction to combine hydrogen and oxygen into water, producing electric current in the process. It works something like reversed electrolysis: at the anode, hydrogen molecules give up electrons, forming hydrogen ions (this process is made possible by the platinum catalyst). The proton exchange membrane allows protons to flow through, but not electrons. As a result, the hydrogen ions flow directly through the proton exchange membrane to the cathode, while the electrons flow through an external circuit. As they travel to the cathode through the external circuit, the electrons produce electrical current. At the cathode, the electrons and hydrogen ions combine with oxygen to form water. In a fuel cell, hydrogen's natural tendency to oxidize and form water produces electricity and useful work. No pollution is produced and the only byproducts are water and heat. The huge advance on materials development combined with the growth demand of lower impact on environment is placing the fuel cells on the top of the most promising technologies world-wide. They are becoming in medium term feasible alternatives for energy generators up to energy plants of few MW. (author)

Does oxidative stress affect the activity of the sodium-proton exchanger?

Science.gov (United States)

Bober, Joanna; Kedzierska, Karolina; Kwiatkowska, Ewa; Stachowska, Ewa; Gołembiewska, Edyta; Mazur, Olech; Staniewicz, Zdzisław; Ciechanowski, Kazimierz; Chlubek, Dariusz

2010-01-01

Accumulation of reactive oxygen species (ROS) takes place in patients with chronic renal failure (CRF). Oxidative stress causes disorders in the activity of the sodium-proton exchanger (NHE). Studies on NHE in CRF produced results that are discrepant and difficult to interpret. The aim of this study was to demonstrate that oxidative stress had an effect on the activity of NHE. We enrolled 87 subjects divided into 4 groups: patients with CRF treated conservatively; patients with CRF hemodialyzed without glucose--HD-g(-); patients with CRF hemodialyzed with glucose--HD-g(+); controls (C). The activity of NHE, the rate of proton efflux V(max), Michaelis constant (Km), and the concentration of thiobarbituric acid-reactive substances (TBARS, an indicator of oxidative stress) in plasma, as well as the concentration of reduced glutathione in blood were determined. The concentration of TBARS was significantly higher in hemodialyzed patients before and after dialysis and in patients with CRF on conservative treatment in comparison with group C. TBARS in plasma correlated negatively with VpH(i)6.4 in group C and with V(max) and VpH(i)6.4 after HD in group HD-g(-). We found that the concentration of creatinine correlated with TBARS (p < 0.0001; r = +0.51) in the conservatively treated group. We observed a marked oxidative stress and decreased NHE activity when dialysis was done without glucose, whereas patients dialyzed with glucose demonstrated a relatively low intensity of oxidative stress.

Improved Electrodes for High Temperature Proton Exchange Membrane Fuel Cells using Carbon Nanospheres.

Science.gov (United States)

Zamora, Héctor; Plaza, Jorge; Cañizares, Pablo; Lobato, Justo; Rodrigo, Manuel A

2016-05-23

This work evaluates the use of carbon nanospheres (CNS) in microporous layers (MPL) of high temperature proton exchange membrane fuel cell (HT-PEMFC) electrodes and compares the characteristics and performance with those obtained using conventional MPL based on carbon black. XRD, hydrophobicity, Brunauer-Emmett-Teller theory, and gas permeability of MPL prepared with CNS were the parameters evaluated. In addition, a short life test in a fuel cell was carried out to evaluate performance under accelerated stress conditions. The results demonstrate that CNS is a promising alternative to traditional carbonaceous materials because of its high electrochemical stability and good electrical conductivity, suitable to be used in this technology. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electro-oxidation of methanol diffused through proton exchange membrane on Pt surface: crossover rate of methanol

International Nuclear Information System (INIS)

Jung, Inhwa; Kim, Doyeon; Yun, Yongsik; Chung, Suengyoung; Lee, Jaeyoung; Tak, Yongsug

2004-01-01

Methanol crossover rate through proton exchange membrane (Nafion 117) was investigated with a newly designed electrochemical stripping cell. Nanosize Pt electrode was prepared by the electroless deposition. Distinct electrocatalytic oxidation behaviors of methanol inside membrane were similar to the methanol oxidation in aqueous electrolyte, except adsorption/desorption of hydrogen. The amount of methanol diffused through membrane was calculated from the charge of methanol oxidation during repetitive cyclic voltammetry (CV) and methanol crossover rate was estimated to be 0.69 nmol/s

Proton exchange membrane fuel cell technology for transportation applications

Energy Technology Data Exchange (ETDEWEB)

Swathirajan, S. [General Motors R& D Center, Warren, MI (United States)

1996-04-01

Proton Exchange Membrane (PEM) fuel cells are extremely promising as future power plants in the transportation sector to achieve an increase in energy efficiency and eliminate environmental pollution due to vehicles. GM is currently involved in a multiphase program with the US Department of Energy for developing a proof-of-concept hybrid vehicle based on a PEM fuel cell power plant and a methanol fuel processor. Other participants in the program are Los Alamos National Labs, Dow Chemical Co., Ballard Power Systems and DuPont Co., In the just completed phase 1 of the program, a 10 kW PEM fuel cell power plant was built and tested to demonstrate the feasibility of integrating a methanol fuel processor with a PEM fuel cell stack. However, the fuel cell power plant must overcome stiff technical and economic challenges before it can be commercialized for light duty vehicle applications. Progress achieved in phase I on the use of monolithic catalyst reactors in the fuel processor, managing CO impurity in the fuel cell stack, low-cost electrode-membrane assembles, and on the integration of the fuel processor with a Ballard PEM fuel cell stack will be presented.

Hybrid systems with lead-acid battery and proton-exchange membrane fuel cell

Science.gov (United States)

Jossen, Andreas; Garche, Juergen; Doering, Harry; Goetz, Markus; Knaupp, Werner; Joerissen, Ludwig

Hybrid systems, based on a lead-acid battery and a proton-exchange membrane fuel cell (PEMFC) give the possibility to combine the advantages of both technologies. The benefits for different applications are discussed and the practical realisation of such systems is shown. Furthermore a numerical model for such a hybrid system is described and results are shown and discussed. The results show that the combination of lead-acid batteries and PEMFC shows advantages in case of applications with high peak power requirements (i.e. electric scooter) and applications where the fuel cell is used as auxiliary power supply to recharge the battery. The high efficiency of fuel cells at partial load operation results in a good fuel economy for recharging of lead-acid batteries with a fuel cell system.

A simple electric circuit model for proton exchange membrane fuel cells

Science.gov (United States)

Lazarou, Stavros; Pyrgioti, Eleftheria; Alexandridis, Antonio T.

A simple and novel dynamic circuit model for a proton exchange membrane (PEM) fuel cell suitable for the analysis and design of power systems is presented. The model takes into account phenomena like activation polarization, ohmic polarization, and mass transport effect present in a PEM fuel cell. The proposed circuit model includes three resistors to approach adequately these phenomena; however, since for the PEM dynamic performance connection or disconnection of an additional load is of crucial importance, the proposed model uses two saturable inductors accompanied by an ideal transformer to simulate the double layer charging effect during load step changes. To evaluate the effectiveness of the proposed model its dynamic performance under load step changes is simulated. Experimental results coming from a commercial PEM fuel cell module that uses hydrogen from a pressurized cylinder at the anode and atmospheric oxygen at the cathode, clearly verify the simulation results.

Investigations of the temperature distribution in proton exchange membrane fuel cells

International Nuclear Information System (INIS)

Jung, Chi-Young; Shim, Hyo-Sub; Koo, Sang-Man; Lee, Sang-Hwan; Yi, Sung-Chul

2012-01-01

A two-dimensional, non-isothermal model of a proton exchange membrane fuel cell was implemented to elucidate heat balance through the membrane electrode assembly (MEA). To take local utilization of platinum catalyst into account, the model was presented by considering the formation of agglomerated catalyst structure in the electrodes. To estimate energy balance through the MEA, various modes of heat generation and depletion by reversible/irreversible heat release, ohmic heating and phase change of water were included in the present model. In addition, dual-pathway kinetics, that is a combination of Heyrovsky–Volmer and Tafel–Volmer kinetics, were employed to precisely describe the hydrogen oxidation reaction. The proposed model was validated with experimental cell polarization, resulting in excellent fit. The temperature distribution inside the MEA was analyzed by the model. Consequently, a thorough investigation was made of the relation between membrane thickness and the temperature distribution inside the MEA.

Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration.

Science.gov (United States)

Soniat, Marielle; Rogers, David M; Rempe, Susan B

2015-07-14

A challenge in density functional theory is developing functionals that simultaneously describe intermolecular electron correlation and electron delocalization. Recent exchange-correlation functionals address those two issues by adding corrections important at long ranges: an atom-centered pairwise dispersion term to account for correlation and a modified long-range component of the electron exchange term to correct for delocalization. Here we investigate how those corrections influence the accuracy of binding free energy predictions for sodium-water clusters. We find that the dual-corrected ωB97X-D functional gives cluster binding energies closest to high-level ab initio methods (CCSD(T)). Binding energy decomposition shows that the ωB97X-D functional predicts the smallest ion-water (pairwise) interaction energy and larger multibody contributions for a four-water cluster than most other functionals - a trend consistent with CCSD(T) results. Also, ωB97X-D produces the smallest amounts of charge transfer and the least polarizable waters of the density functionals studied, which mimics the lower polarizability of CCSD. When compared with experimental binding free energies, however, the exchange-corrected CAM-B3LYP functional performs best (error <1 kcal/mol), possibly because of its parametrization to experimental formation enthalpies. For clusters containing more than four waters, "split-shell" coordination must be considered to obtain accurate free energies in comparison with experiment.

Route, mechanism, and implications of proton import during Na+/K+ exchange by native Na+/K+-ATPase pumps

Science.gov (United States)

Vedovato, Natascia

2014-01-01

A single Na+/K+-ATPase pumps three Na+ outwards and two K+ inwards by alternately exposing ion-binding sites to opposite sides of the membrane in a conformational sequence coupled to pump autophosphorylation from ATP and auto-dephosphorylation. The larger flow of Na+ than K+ generates outward current across the cell membrane. Less well understood is the ability of Na+/K+ pumps to generate an inward current of protons. Originally noted in pumps deprived of external K+ and Na+ ions, as inward current at negative membrane potentials that becomes amplified when external pH is lowered, this proton current is generally viewed as an artifact of those unnatural conditions. We demonstrate here that this inward current also flows at physiological K+ and Na+ concentrations. We show that protons exploit ready reversibility of conformational changes associated with extracellular Na+ release from phosphorylated Na+/K+ pumps. Reversal of a subset of these transitions allows an extracellular proton to bind an acidic side chain and to be subsequently released to the cytoplasm. This back-step of phosphorylated Na+/K+ pumps that enables proton import is not required for completion of the 3 Na+/2 K+ transport cycle. However, the back-step occurs readily during Na+/K+ transport when external K+ ion binding and occlusion are delayed, and it occurs more frequently when lowered extracellular pH raises the probability of protonation of the externally accessible carboxylate side chain. The proton route passes through the Na+-selective binding site III and is distinct from the principal pathway traversed by the majority of transported Na+ and K+ ions that passes through binding site II. The inferred occurrence of Na+/K+ exchange and H+ import during the same conformational cycle of a single molecule identifies the Na+/K+ pump as a hybrid transporter. Whether Na+/K+ pump–mediated proton inflow may have any physiological or pathophysiological significance remains to be clarified. PMID

Route, mechanism, and implications of proton import during Na+/K+ exchange by native Na+/K+-ATPase pumps.

Science.gov (United States)

Vedovato, Natascia; Gadsby, David C

2014-04-01

A single Na(+)/K(+)-ATPase pumps three Na(+) outwards and two K(+) inwards by alternately exposing ion-binding sites to opposite sides of the membrane in a conformational sequence coupled to pump autophosphorylation from ATP and auto-dephosphorylation. The larger flow of Na(+) than K(+) generates outward current across the cell membrane. Less well understood is the ability of Na(+)/K(+) pumps to generate an inward current of protons. Originally noted in pumps deprived of external K(+) and Na(+) ions, as inward current at negative membrane potentials that becomes amplified when external pH is lowered, this proton current is generally viewed as an artifact of those unnatural conditions. We demonstrate here that this inward current also flows at physiological K(+) and Na(+) concentrations. We show that protons exploit ready reversibility of conformational changes associated with extracellular Na(+) release from phosphorylated Na(+)/K(+) pumps. Reversal of a subset of these transitions allows an extracellular proton to bind an acidic side chain and to be subsequently released to the cytoplasm. This back-step of phosphorylated Na(+)/K(+) pumps that enables proton import is not required for completion of the 3 Na(+)/2 K(+) transport cycle. However, the back-step occurs readily during Na(+)/K(+) transport when external K(+) ion binding and occlusion are delayed, and it occurs more frequently when lowered extracellular pH raises the probability of protonation of the externally accessible carboxylate side chain. The proton route passes through the Na(+)-selective binding site III and is distinct from the principal pathway traversed by the majority of transported Na(+) and K(+) ions that passes through binding site II. The inferred occurrence of Na(+)/K(+) exchange and H(+) import during the same conformational cycle of a single molecule identifies the Na(+)/K(+) pump as a hybrid transporter. Whether Na(+)/K(+) pump-mediated proton inflow may have any physiological or

Influence of cathode flow pulsation on performance of proton exchange membrane fuel cell with interdigitated gas distributors

International Nuclear Information System (INIS)

Ramiar, A.; Mahmoudi, A.H.; Esmaili, Q.; Abdollahzadeh, M.

2016-01-01

In this paper, a numerical study is conducted in order to investigate the effect of pulsation of air flow at the cathode side of Proton Exchange Membrane (PEM) fuel cell with interdigitated flow field. A two dimensional, isothermal, two-phase, unsteady multi-component transport model is used in order to simulate the transport phenomena. The obtained results are discussed in terms of the influence of flow pulsation on water management and cell performance. The results prove the effectiveness of flow pulsation on improving water removal from cell, enhancing reactants transports to the reaction sites, and increasing the cell performance expressed by increment in the cell limiting current density and maximum output power. The effects of pulsation frequency (f), amplitude (Amp), and mean inlet pressure (P_i_n) on the performance and the output power of the cell, are also investigated. The performance of the cell has no dependency on the frequency range considered in this study. However, as the pulsation amplitude increases the increment in the cell performance is more obvious. Moreover, applying flow pulsation at low flow rates leads to higher efficiency in water removal and performance enhancement. - Highlights: • Mechanism of water and oxygen transport under flow pulsation are discussed. • Pulsating cathode flow increases the limiting current density and output power. • The performance of cell has no significant dependency on pulsation frequency. • The performance and output power increase with the pulsation amplitude. • Using pulsating flow at lower average pressures leads to higher water removal rate.

Patching the Exchange-Correlation Potential in Density Functional Theory.

Science.gov (United States)

Huang, Chen

2016-05-10

A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.

Role of post-sulfonation of poly(ether ether sulfone) in proton conductivity and chemical stability of its proton exchange membranes for fuel cell

Energy Technology Data Exchange (ETDEWEB)

Unveren, Elif Erdal; Erdogan, Tuba; Inan, Tulay Y. [Chemistry Institute, TUBITAK Marmara Research Center, 41470, Gebze, Kocaeli (Turkey); Celebi, Serdar S. [Professor Emeritus, Chemical Engineering Department, Hacettepe University, 06800, Beytepe, Ankara (Turkey)

2010-04-15

Commercially available poly(ether ether sulfone), PEES, was directly sulfonated using concentrated sulfuric acid at low temperatures by minimizing degradation during sulfonation. The sulfonation reaction was performed in the temperature range of 5-25 C. Sulfonated polymers were characterized by FTIR, {sup 1}H NMR spectroscopy and ion exchange capacity (IEC) measurements. Degradation during sulfonation was investigated by measuring intrinsic viscosity, glass transition temperature and thermal decomposition temperature of sulfonated polymers. Sulfonated PEES, SPEES, membranes were prepared by solvent casting method and characterized in terms of IEC, proton conductivity and water uptake. The effect of sulfonation conditions on chemical stability of membranes was also investigated via Fenton test. Optimum sulfonation condition was determined to be 10 C with conc. H{sub 2}SO{sub 4} based on the characteristics of sulfonated polymers and also the chemical stability of their membranes. SPEES membranes exhibited proton conductivity up to 185.8 mS cm{sup -1} which is higher than that of Nafion 117 (133.3 mS cm{sup -1}) measured at 80 C and relative humidity 100%. (author)

Proton impurity in the neutron matter: a nuclear polaron problem

Energy Technology Data Exchange (ETDEWEB)

Kutschera, M [Institute of Nuclear Physics, Cracow (Poland); Wojcik, W [Politechnika Krakowska, Cracow (Poland)

1992-10-01

We study interactions of a proton impurity with density oscillations of the neutron matter in a Debye approximation. The proton-phonon coupling is of the deformation-potential type at long wavelengths. It is weak at low density and increases with the neutron matter density. We calculate the proton`s effective mass perturbatively for a weak coupling, and use a canonical transformation technique for stronger couplings. The proton`s effective mass grows significantly with density, and at higher densities the proton impurity can be localized. This behaviour is similar to that of the polaron in solids. We obtain properties of the localized proton in the strong coupling regime from variational calculations, treating the neutron in the Thomas-Fermi approximation. (author). 14 refs, 8 figs.

Modified hydrogenated PBLH copolymer synthesis with styrene for proton exchange membranes fuel cell application

International Nuclear Information System (INIS)

Ferraz, Fernando A.; Oliveira, Angelo R.S.; Rodrigues, Maraiza F.; Groetzner, Mariana B.; Cesar-Oliveira, Maria Aparecida F.; Cantao, Mauricio P.

2005-01-01

Polymers used as electrolyte in fuel cells are expected to have functional groups in their structure which are responsible for proton conductivity. Since the use of hydroxylated liquid polybutadiene (PBLH) has not been mentioned in the literature as an ion exchange membrane for fuel cell application (PEMFC), and its structure can be modified for a later sulfonation, it has been studied. In this work, PBLH was modified through a hydrogenation reaction. Furthermore, hydrogenated polymeric esters were obtained by esterification and transesterification reactions (PBLH- estearate and PBLH- methacrylate). Reacting the PBLH methacrylate with styrene, it was generated a copolymer with appropriated structure for sulfonation, justifying researches for fuel cell. (author)

Parity Non-Conservation in Proton-Proton Elastic Scattering

International Nuclear Information System (INIS)

Brown, V.R.; B.F. Gibson; J.A. Carlson; R. Schiavilla

2002-01-01

The parity non-conserving longitudinal asymmetry in proton-proton (pp) elastic scattering is calculated in the lab-energy range 0-350 MeV using contemporary, realistic strong-interaction potentials combined with a weak-interaction potential comprised of rho- and omega-meson exchanges as exemplified by the DDH model. Values for the rho- and omega-meson coupling constants, h rho rho rho and h rho rho omega , are determined from comparison with the measured asymmetries at 13.6 MeV, 45 MeV, and 221 MeV

Approximate self-consistent potentials for density-functional-theory exchange-correlation functionals

International Nuclear Information System (INIS)

Cafiero, Mauricio; Gonzalez, Carlos

2005-01-01

We show that potentials for exchange-correlation functionals within the Kohn-Sham density-functional-theory framework may be written as potentials for simpler functionals multiplied by a factor close to unity, and in a self-consistent field calculation, these effective potentials find the correct self-consistent solutions. This simple theory is demonstrated with self-consistent exchange-only calculations of the atomization energies of some small molecules using the Perdew-Kurth-Zupan-Blaha (PKZB) meta-generalized-gradient-approximation (meta-GGA) exchange functional. The atomization energies obtained with our method agree with or surpass previous meta-GGA calculations performed in a non-self-consistent manner. The results of this work suggest the utility of this simple theory to approximate exchange-correlation potentials corresponding to energy functionals too complicated to generate closed forms for their potentials. We hope that this method will encourage the development of complex functionals which have correct boundary conditions and are free of self-interaction errors without the worry that the functionals are too complex to differentiate to obtain potentials

The role of protonation in protein fibrillation

DEFF Research Database (Denmark)

Jeppesen, Martin D; Westh, Peter; Otzen, Daniel E

2010-01-01

Many proteins fibrillate at low pH despite a high population of charged side chains. Therefore exchange of protons between the fibrillating peptide and its surroundings may play an important role in fibrillation. Here, we use isothermal titration calorimetry to measure exchange of protons between...... buffer and the peptide hormone glucagon during fibrillation. Glucagon absorbs or releases protons to an extent which allows it to attain a net charge of zero in the fibrillar state, both at acidic and basic pH. Similar results are obtained for lysozyme. This suggests that side chain pKa values change...

Synthesis of the diazonium (perfluoroalkyl) benzenesulfonimide monomer from Nafion monomer for proton exchange membrane fuel cells

Science.gov (United States)

Mei, Hua; D'Andrea, Dan; Nguyen, Tuyet-Trinh; Nworie, Chima

2014-02-01

One diazonium (perfluoroalkyl) benzenesulfonimide monomer, perfluoro-3, 6-dioxa-4-methyl-7-octene benzenesulfonyl imide, has been synthesized from Nafion monomer for the first time. With trifluorovinyl ether and diazonium precursors, the partially-fluorinated diazonium PFSI monomer can be polymerized and will provide chemically bonding with carbon electrode in proton exchange membrane fuel cells. A systematic study of the synthesis and characterization of this diazonium PFSI monomer has been conducted by varying reaction conditions. The optimized synthesis method has been established in the lab.

Star tracker operation in a high density proton field

Science.gov (United States)

Miklus, Kenneth J.; Kissh, Frank; Flynn, David J.

1993-01-01

Algorithms that reject transient signals due to proton effects on charge coupled device (CCD) sensors have been implemented in the HDOS ASTRA-l Star Trackers to be flown on the TOPEX mission scheduled for launch in July 1992. A unique technique for simulating a proton-rich environment to test trackers is described, as well as the test results obtained. Solar flares or an orbit that passes through the South Atlantic Anomaly can subject the vehicle to very high proton flux levels. There are three ways in which spurious proton generated signals can impact tracker performance: the many false signals can prevent or extend the time to acquire a star; a proton-generated signal can compromise the accuracy of the star's reported magnitude and position; and the tracked star can be lost, requiring reacquisition. Tests simulating a proton-rich environment were performed on two ASTRA-1 Star Trackers utilizing these new algorithms. There were no false acquisitions, no lost stars, and a significant reduction in reported position errors due to these improvements.

Modelling Age- and Density-Related Gas Exchange of Picea abies Canopies in the Fichtelgebirge, Germany

OpenAIRE

Falge, Eva; Tennhunen, John D.; Ryel, Ronald J.; Alsheimer, Martina; Köstner, Barbara

2000-01-01

International audience; Differences in canopy exchange of water and carbon dioxide that occur due to changes in tree structure and density in montane Norway spruce stands of Central Germany were analyzed with a three dimensional microclimate and gas exchange model STANDFLUX. The model was used to calculate forest radiation absorption, the net photosynthesis and transpiration of single trees, and gas exchange of tree canopies. Model parameterizations were derived for six stands of Picea abies ...

Knock-on type exchange and the density dependence of an effective interaction

International Nuclear Information System (INIS)

Jeukenne, J.P.; Mahaux, C.

1981-01-01

We investigate the origin of the density-dependence of the strength of an effective interaction previously derived from a Brueckner-Hartree-Fock calculation of the optical-model potential in nuclear matter. From the analysis of a model based on the Hartree-Fock approximation and on a Yukawa interaction with a Majorana exchange component, we study to what extent this dependence derives from the momentum-dependence of the exchange contribution of the knock-on type. The model is also used to discuss zero-range pseudopotential methods for including this knock-on contribution. (orig.)

Improvement in the mechanical properties, proton conductivity, and methanol resistance of highly branched sulfonated poly(arylene ether)/graphene oxide grafted with flexible alkylsulfonated side chains nanocomposite membranes

Science.gov (United States)

Liu, Dong; Peng, Jinhua; Li, Zhuoyao; Liu, Bin; Wang, Lei

2018-02-01

Sulfonated polymer/graphene oxide (GO) nanocomposites exhibit excellent properties as proton exchange membranes. However, few investigations on highly branched sulfonated poly(arylene ether)s (HBSPE)/GO nanocomposites as proton exchange membranes are reported. In order to obtain HBSPE-based nanocomposite membranes with better dispersibility and properties, a novel GO containing flexible alkylsulfonated side chains (SGO) is designed and prepared for the first time in this work. The HBSPE/SGO nanocomposite membranes with excellent dispersibility are successfully prepared. The properties of these membranes, including the mechanical properties, ion-exchange capacity, water uptake, proton conductivity, and methanol resistance, are characterized. The nanocomposite membranes exhibit higher tensile strength (32.67 MPa), higher proton conductivity (0.39 S cm-1 at 80 °C) and lower methanol permeability (4.89 × 10-7 cm2 s-1) than the pristine membrane. The nanocomposite membranes also achieve a higher maximum power density (82.36 mW cm-2) than the pristine membrane (67.85 mW cm-2) in single-cell direct methanol fuel cell (DMFC) tests, demonstrating their considerable potential for applications in DMFCs.

D-region electron density and effective recombination coefficients during twilight – experimental data and modelling during solar proton events

Directory of Open Access Journals (Sweden)

A. Osepian

2009-10-01

Full Text Available Accurate measurements of electron density in the lower D-region (below 70 km altitude are rarely made. This applies both with regard to measurements by ground-based facilities and by sounding rockets, and during both quiet conditions and conditions of energetic electron precipitation. Deep penetration into the atmosphere of high-energy solar proton fluxes (during solar proton events, SPE produces extra ionisation in the whole D-region, including the lower altitudes, which gives favourable conditions for accurate measurements using ground-based facilities. In this study we show that electron densities measured with two ground-based facilities at almost the same latitude but slightly different longitudes, provide a valuable tool for validation of model computations. The two techniques used are incoherent scatter of radio waves (by the EISCAT 224 MHz radar in Tromsø, Norway, 69.6° N, 19.3° E, and partial reflection of radio-waves (by the 2.8 MHz radar near Murmansk, Russia, 69.0° N, 35.7° E. Both radars give accurate electron density values during SPE, from heights 57–60 km and upward with the EISCAT radar and between 55–70 km with the partial reflection technique. Near noon, there is little difference in the solar zenith angle between the two locations and both methods give approximately the same values of electron density at the overlapping heights. During twilight, when the difference in solar zenith angles increases, electron density values diverge. When both radars are in night conditions (solar zenith angle >99° electron densities at the overlapping altitudes again become equal. We use the joint measurements to validate model computations of the ionospheric parameters f+, λ, αeff and their variations during solar proton events. These parameters are important characteristics of the lower ionosphere structure which cannot be determined by other methods.

Relating saturation capacity to charge density in strong cation exchangers.

Science.gov (United States)

Steinebach, Fabian; Coquebert de Neuville, Bertrand; Morbidelli, Massimo

2017-07-21

In this work the relation between physical and chemical resin characteristics and the total amount of adsorbed protein (saturation capacity) for ion-exchange resins is discussed. Eleven different packing materials with a sulfo-functionalization and one multimodal resin were analyzed in terms of their porosity, pore size distribution, ligand density and binding capacity. By specifying the ligand density and binding capacity by the total and accessible surface area, two different groups of resins were identified: Below a ligand density of approx. 2.5μmol/m 2 area the ligand density controls the saturation capacity, while above this limit the accessible surface area becomes the limiting factor. This results in a maximum protein uptake of around 2.5mg/m 2 of accessible surface area. The obtained results allow estimating the saturation capacity from independent resin characteristics like the saturation capacity mainly depends on "library data" such as the accessible and total surface area and the charge density. Hence these results give an insight into the fundamentals of protein adsorption and help to find suitable resins, thus limiting the experimental effort in early process development stages. Copyright © 2017 Elsevier B.V. All rights reserved.

Sliding mode observer for proton exchange membrane fuel cell: automotive application

Science.gov (United States)

Piffard, Maxime; Gerard, Mathias; Fonseca, Ramon Da; Massioni, Paolo; Bideaux, Eric

2018-06-01

This work proposes a state observer as a tool to manage cost and durability issues for PEMFC (Proton Exchange Membrane Fuel Cell) in automotive applications. Based on a dead-end anode architecture, the observer estimates the nitrogen build-up in the anode side, as well as relative humidities in the channels. These estimated parameters can then be used at fuel cell management level to enhance the durability of the stack. This observer is based on transport equations through the membrane and it reconstructs the behavior of the water and nitrogen inside the channels without the need of additional humidity sensors to correct the estimate. The convergence of the output variables is proved with Lyapunov theory for dynamic operating conditions. The validation is made with a high-fidelity model running a WLTC (Worldwide harmonized Light vehicles Test Cycle). This observer provides the average values of nitrogen and relative humidities with sufficient precision to be used in a global real-time control scheme.

Balancing Exchange Mixing in Density-Functional Approximations for Iron Porphyrin.

Science.gov (United States)

Berryman, Victoria E J; Boyd, Russell J; Johnson, Erin R

2015-07-14

Predicting the correct ground-state multiplicity for iron(II) porphyrin, a high-spin quintet, remains a significant challenge for electronic-structure methods, including commonly employed density functionals. An even greater challenge for these methods is correctly predicting favorable binding of O2 to iron(II) porphyrin, due to the open-shell singlet character of the adduct. In this work, the performance of a modest set of contemporary density-functional approximations is assessed and the results interpreted using Bader delocalization indices. It is found that inclusion of greater proportions of Hartree-Fock exchange, in hybrid or range-separated hybrid functionals, has opposing effects; it improves the ability of the functional to identify the ground state but is detrimental to predicting favorable dioxygen binding. Because of the uncomplementary nature of these properties, accurate prediction of both the relative spin-state energies and the O2 binding enthalpy eludes conventional density-functional approximations.

Sodium borohydride hydrogen generator using Co–P/Ni foam catalysts for 200 W proton exchange membrane fuel cell system

International Nuclear Information System (INIS)

Oh, Taek Hyun; Gang, Byeong Gyu; Kim, Hyuntak; Kwon, Sejin

2015-01-01

The response characteristics of electroless-deposited Co–P/Ni foam catalysts for sodium borohydride hydrolysis were investigated. The effect of nickel foam geometry on the properties of the catalysts was evaluated. As the PPI (pores per inch) of the nickel foam increased, the hydrogen generation rate per gram of the deposited catalyst increased due to an increase in surface area. The response characteristics of various catalysts were compared under real operating conditions. When a thin nickel foam with high PPI was used, the response characteristics of the catalyst improved due to an increase in the amount of the deposited catalyst and surface area. Finally, a 200 W PEMFC (proton exchange membrane fuel cell) system using electroless-deposited Co–P/Ni foam (110 PPI) catalyst was investigated. The response time to reach a hydrogen generation rate sufficient for a 200 W PEMFC was 71 s, and the energy density of a 200 W fuel cell system for producing 600 Wh was 252.1 Wh/kg. A fuel cell system using Co–P/Ni foam catalysts can be widely used as a power source for mobile applications due to fast response characteristics and high energy density. - Highlights: • Response characteristics of Co–P/Ni foam catalysts are investigated. • Catalytic activity is improved with increase in PPI (pores per inch) of Ni foam. • Co–P/Ni foam (110 PPI) catalyst has improved response characteristics. • The energy density of a 200 W PEMFC system for producing 600 Wh is 252.1 Wh/kg. • Co–P/Ni foam (110 PPI) catalyst is suitable for fuel cell system.

Importance of Electrode Hot-Pressing Conditions for the Catalyst Performance of Proton Exchange Membrane Fuel Cells

DEFF Research Database (Denmark)

Andersen, Shuang Ma; Dhiman, Rajnish; Larsen, Mikkel Juul

2015-01-01

The catalyst performance in a proton exchange membrane fuel cell (PEMFC) depends on not only the choice of materials, but also on the electrode structure and in particular on the interface between the components. In this work, we demonstrate that the hot-pressing conditions used during electrode...... lamination have a great influence on the catalyst properties of a low-temperature PEMFC, especially on its durability. Lamination pressure, temperature and duration were systematically studied in relation to the electrochemical surface area, platinum dissolution, platinum particle size and electrode surface...

Odderon and photon exchange in electroproduction of pseudoscalar mesons

CERN Document Server

Berger, Edgar R.; Dosch, Hans Gunter; Kilian, W.; Nachtmann, O.; Rueter, M.

1999-01-01

We investigate the reaction $e p \\to e PS X$ where PS denotes a pseudoscalar meson $\\pi^0, \\eta, \\eta'$, or $\\eta_c$ and X either a proton or resonance or continuum states into which the proton can go by diffractive excitation. At high energies photon and odderon exchange contribute to the reaction. The photon exchange contribution is evaluated exactly using data for the total virtual photon-proton absorption cross section. The odderon exchange contribution is calculated in nonperturbative QCD, using functional integral techniques and the model of the stochastic vacuum. For the proton we assume a quark-diquark structure as suggested by the small odderon amplitude in $pp$ and $p \\bar{p}$ forward scattering. We show that odderon exchange leads to a much larger inelastic than elastic PS production cross section. Observation of our reaction at HERA would establish the soft odderon as an exchange object on an equal footing with the soft pomeron and would give us valuable insight into both the nucleon structure and...

Effect of energy level sequences and neutron–proton interaction on α-particle preformation probability

International Nuclear Information System (INIS)

Ismail, M.; Adel, A.

2013-01-01

A realistic density-dependent nucleon–nucleon (NN) interaction with finite-range exchange part which produces the nuclear matter saturation curve and the energy dependence of the nucleon–nucleus optical model potential is used to calculate the preformation probability, S α , of α-decay from different isotones with neutron numbers N=124,126,128,130 and 132. We studied the variation of S α with the proton number, Z, for each isotone and found the effect of neutron and proton energy levels of parent nuclei on the behavior of the α-particle preformation probability. We found that S α increases regularly with the proton number when the proton pair in α-particle is emitted from the same level and the neutron level sequence is not changed during the Z-variation. In this case the neutron–proton (n–p) interaction of the two levels, contributing to emission process, is too small. On the contrary, if the proton or neutron level sequence is changed during the emission process, S α behaves irregularly, the irregular behavior increases if both proton and neutron levels are changed. This behavior is accompanied by change or rapid increase in the strength of n–p interaction

DOD Residential Proton Exchange Membrane (PEM) Fuel Cell Demonstration Program. Volume 2. Summary of Fiscal Year 2001-2003 Projects

Science.gov (United States)

2005-09-01

produced many of the Beatles 1970s recordings. This facility was selected to host the UK PEM demonstration project from a selection of four potential sites...funded the Department of Defense (DOD) Residential PEM Demonstration Project to demonstrate domestically-produced, residential Proton Exchange Membrane...PEM) fuel cells at DOD Facilities. The objectives were to: (1) assess PEM fuel cells’ role in supporting sustainability at military installations

Proton exchange membrane developed from novel blends of polybenzimidazole and poly(vinyl-1,2,4-triazole).

Science.gov (United States)

Hazarika, Mousumi; Jana, Tushar

2012-10-24

In continuation (J. Phys. Chem. B2008, 112, 5305; J. Colloid Interface Sci. 2010, 351, 374) of our quest for proton exchange membrane (PEM) developed from polybenzimidazole (PBI) blends, novel polymer blend membranes of PBI and poly(1-vinyl-1,2,4-triazole) (PVT) were prepared using a solution blending method. The aim of the work was to investigate the effect of the blend composition on the properties, e.g., thermo-mechanical stability, swelling, and proton conductivity of the blend membranes. The presence of specific interactions between the two polymers in the blends were observed by studying the samples using varieties of spectroscopic techniques. Blends prepared in all possible compositions were studied using a differential scanning calorimetry (DSC) and exhibited a single T(g) value, which lies between the T(g) value of the neat polymers. The presence of a single composition-dependent T(g) value indicated that the blend is a miscible blend. The N-H···N interactions between the two polymers were found to be the driving force for the miscibility. Thermal stability up to 300 °C of the blend membranes, obtained from thermogravimetric analysis, ensured their suitability as PEMs for high-temperature fuel cells. The proton conductivity of the blend membranes have improved significantly, compared to neat PBI, because of the presence of triazole moiety, which acts as a proton facilitator in the conduction process. The blend membranes showed a considerably lower increase in thickness and swelling ratio than that of PBI after doping with phosphoric acid (PA). We found that the porous morphology of the blend membranes caused the loading of a larger amount of PA and, consequently, higher proton conduction with lower activation energy, compared to neat PBI.

Recovery of 201Tl by ion exchange chromatography from proton bombarded thallium cyclotron targets

International Nuclear Information System (INIS)

Walt, T.N. van der; Naidoo, C.

2000-01-01

A method based on ion exchange chromatography is presented for the recovery of 201 Tl and its precursor 201 Pb from proton bombarded natural thallium cyclotron targets. After bombardment the target is dissolved in diluted nitric acid. Water, hydrazine and ammonium acetate are added to the solution and the lead radioisotopes separated from the thallium by cation exchange chromatography on a Bio-Rex 70 column. The sorbed lead radioisotopes are eluted with dilute nitric acid and the separation repeated on a second Bio-Rex 70 column. After elution of the remaining thallium the column is left for 32 hours and the 201 Tl formed by decay of 201 Pb is eluted with an ammonium acetate solution. The 201 Tl eluate is acidified with a HNO 3 -HBr-Br 2 mixture and the resulting solution is passed through an AG MP-1 anion exchanger column to remove any remaining lead isotopes. The 201 Tl is eluted with a hydrazine solution, the eluate evaporated to dryness and the 201 Tl finally dissolved in an appropriate solution to produce a 201 TlCl solution suitable for medical use. A high quality 201 Tl product is obtained containing ≤ 0.1 μg of Tl/mCi (37 MBq) 201 Tl. The radionuclidic impurities are less than the maximum values specified by the US Pharmacopoeia and the British Pharmacopoeia. (orig.)

Protons conductive membranes from sulfonated styrenic copolymers; Membranas conductoras de protons a partir de copolimeros estirenicos sulfonados

Energy Technology Data Exchange (ETDEWEB)

Brum, F.J.B.; Silva, M.A.G.; Amico, S.C.; Malfatti, C.F.; Forte, M.M.C. [Universidade Federal do Rio Grande do Sul (EE/UFRGS), Porto Alegre, RS (Brazil). Escola de Engenharia], e-mail: mmcforte@ufrgs.br; Vargas, J.V.C. [Universidade Federal do Parana (DEM/UFPR), Curitiba, PR (Brazil). Dept. de Engenharia Mecanica

2008-07-01

Fuel cells working with polymeric electrolyte known as Proton Exchange Membrane Fuel Cell (PEMFC) have become a promising source for energy generation since they can produce high density electric current in an effective way. In this work, a polymeric precursor based on sulfonated styrenic copolymer (RHS) was used with the aim of producing ion-exchange membranes thermally stable at 80 deg C and over. Films of RHS and poly(vinylalcohol) (PVA) mixtures with different polyelectrolyte content were prepared, using glutaraldehyde as a crosslinking agent and antimonic acid. The films or membranes were analyzed by infrared and electrochemical impedance spectroscopy, differential scanning calorimetry, thermogravimetry and water absorption content. The impedance studies showed that the ionic conductivity of the RHS/PVA membranes was highly dependent on the electrolyte polymer in a way that the higher the content, the higher the membrane ionic conductivity. The RHS66{sub G}1 showed ionic conductivity similar to the Nafion membrane analyzed at the same conditions. (author)

Exceptional power density and stability at intermediate temperatures in protonic ceramic fuel cells

Science.gov (United States)

Choi, Sihyuk; Kucharczyk, Chris J.; Liang, Yangang; Zhang, Xiaohang; Takeuchi, Ichiro; Ji, Ho-Il; Haile, Sossina M.

2018-03-01

Over the past several years, important strides have been made in demonstrating protonic ceramic fuel cells (PCFCs). Such fuel cells offer the potential of environmentally sustainable and cost-effective electric power generation. However, their power outputs have lagged behind predictions based on their high electrolyte conductivities. Here we overcome PCFC performance and stability challenges by employing a high-activity cathode, PrBa0.5Sr0.5Co1.5Fe0.5O5+δ (PBSCF), in combination with a chemically stable electrolyte, BaZr0.4Ce0.4Y0.1Yb0.1O3 (BZCYYb4411). We deposit a thin dense interlayer film of the cathode material onto the electrolyte surface to mitigate contact resistance, an approach which is made possible by the proton permeability of PBSCF. The peak power densities of the resulting fuel cells exceed 500 mW cm-2 at 500 °C, while also offering exceptional, long-term stability under CO2.

Comparative analysis of cation/proton antiporter superfamily in plants.

Science.gov (United States)

Ye, Chu-Yu; Yang, Xiaohan; Xia, Xinli; Yin, Weilun

2013-06-01

The cation/proton antiporter superfamily is associated with the transport of monovalent cations across membranes. This superfamily was annotated in the Arabidopsis genome and some members were functionally characterized. In the present study, a systematic analysis of the cation/proton antiporter genes in diverse plant species was reported. We identified 240 cation/proton antiporters in alga, moss, and angiosperm. A phylogenetic tree was constructed showing these 240 members are separated into three families, i.e., Na(+)/H(+) exchangers, K(+) efflux antiporters, and cation/H(+) exchangers. Our analysis revealed that tandem and/or segmental duplications contribute to the expansion of cation/H(+) exchangers in the examined angiosperm species. Sliding window analysis of the nonsynonymous/synonymous substitution ratios showed some differences in the evolutionary fate of cation/proton antiporter paralogs. Furthermore, we identified over-represented motifs among these 240 proteins and found most motifs are family specific, demonstrating diverse evolution of the cation/proton antiporters among three families. In addition, we investigated the co-expressed genes of the cation/proton antiporters in Arabidopsis thaliana. The results showed some biological processes are enriched in the co-expressed genes, suggesting the cation/proton antiporters may be involved in these biological processes. Taken together, this study furthers our knowledge on cation/proton antiporters in plants. Copyright © 2013 Elsevier B.V. All rights reserved.

Rapid deuterium exchange-in time for probing conformational change

International Nuclear Information System (INIS)

Dharmasiri, K.; Smith, D.L.

1995-01-01

Isotopic exchange of protein backbone amide hydrogens has been used extensively as a sensitive probe of protein structure. One of the salient features of hydrogen exchange is the vast range of exchange rates in one protein. Isotopic exchange methods have been used to study the structural features including protein folding and unfolding (1), functionally different forms of proteins (2), protein-protein complexation (3), and protein stability parameter. Many backbone amide protons that are surface accessible and are not involved in hydrogen bonding undergo rapid deuterium exchange. In order to study, fast exchanging amide protons, fast exchange-in times are necessary

SU-E-J-63: Feasibility Study of Proton Digital Tomosynthesis in Proton Beam Therapy.

Science.gov (United States)

Min, B; Kwak, J; Lee, J; Cho, S; Park, S; Yoo, S; Chung, K; Cho, S; Lim, Y; Shin, D; Lee, S; Kim, J

2012-06-01

We investigated the feasibility of proton tomosynthesis as daily positioning of patients and compared the results with photon tomosynthesis as an alternative to conventional portal imaging or on-board cone-beam computed tomography. Dedicated photon-like proton beam using the passively scattered proton beams by the cyclotron was generated for proton imaging. The eleven projections were acquired over 30 degree with 3 degree increment in order to investigate the performance of proton tomosynthesis. The cylinder blocks and resolution phantom were used to evaluate imaging performance. Resolution phantom of a cylinder of diameter 12 cm was used to investigate the reconstructed imaging characteristics. Electron density cylinder blocks with diameter of 28 mm and height of 70 mm were employed to assess the imaging quality. The solid water, breast, bone, adipose, lung, muscle, and liver, which were tissue equivalent inserts, were positioned around the resolution phantom. The images were reconstructed by projection onto convex sets (POCS) algorithm and total variation minimization (TVM) methods. The Gafchromic EBT films were utilized for measuring the photon-like proton beams as a proton detector. In addition, the photon tomosynthesis images were obtained for a comparison with proton tomosynthesis images. The same angular sampling data were acquired for both proton and photon tomosynthesis. In the resolution phantom image obtained proton tomosynthesis, down to 1.6 mm diameter rods were resolved visually, although the separation between adjacent rods was less distinct. In contrast, down to 1.2 mm diameter rods were resolved visually in the reconstructed image obtained photon tomosynthesis. Both proton and photon tomosynthesis images were similar in intensities of different density blocks. Our results demonstrated that proton tomosynthesis could make it possible to provide comparable tomography imaging to photon tomosynthesis for positioning as determined by manual registration

NMR analysis of t-butyl-catalyzed deuterium exchange at unactivated arene localities.

Science.gov (United States)

Stack, Douglas E; Eastman, Rachel

2016-10-01

Regioselective labelling of arene rings via electrophilic exchange is often dictated by the electronic environment caused by substituents present on the aromatic system. Previously, we observed the presence of a t-butyl group, either covalently bond or added as an external reagent, could impart deuterium exchange to the unactivated, C1-position of estrone. Here, we provide nuclear magnetic resonance analysis of this exchange in a solvent system composed of 50:50 trifluoroacetic acid and D 2 O with either 2-t-butylestrone or estrone in the presence of t-butyl alcohol has shed insights into the mechanism of this t-butyl-catalyzed exchange. Fast exchange of the t-butyl group concurrent with the gradual reduction of the H1 proton signal in both systems suggest a mechanism involving ipso attack of the t-butyl position by deuterium. The reversible addition/elimination of the t-butyl group activates the H1 proton towards exchange by a mechanism of t-butyl incorporation, H1 activation and exchange, followed by eventual t-butyl elimination. Density functional calculations are consistent with the observation of fast t-butyl exchange concurrent with slower H1 exchange. The σ-complex resulting from ipso attack of deuterium at the t-butyl carbon was 6.6 kcal/mol lower in energy than that of the σ-complex resulting from deuterium attack at C1. A better understanding of the t-butyl-catalyzed exchange could help in the design of labelling recipes for other phenolic metabolites. Copyright © 2016 The Authors. Journal of Labelled Compounds and Radiopharmaceuticals published by John Wiley & Sons, Ltd.

Modeling and operation optimization of a proton exchange membrane fuel cell system for maximum efficiency

International Nuclear Information System (INIS)

Han, In-Su; Park, Sang-Kyun; Chung, Chang-Bock

2016-01-01

Highlights: • A proton exchange membrane fuel cell system is operationally optimized. • A constrained optimization problem is formulated to maximize fuel cell efficiency. • Empirical and semi-empirical models for most system components are developed. • Sensitivity analysis is performed to elucidate the effects of major operating variables. • The optimization results are verified by comparison with actual operation data. - Abstract: This paper presents an operation optimization method and demonstrates its application to a proton exchange membrane fuel cell system. A constrained optimization problem was formulated to maximize the efficiency of a fuel cell system by incorporating practical models derived from actual operations of the system. Empirical and semi-empirical models for most of the system components were developed based on artificial neural networks and semi-empirical equations. Prior to system optimizations, the developed models were validated by comparing simulation results with the measured ones. Moreover, sensitivity analyses were performed to elucidate the effects of major operating variables on the system efficiency under practical operating constraints. Then, the optimal operating conditions were sought at various system power loads. The optimization results revealed that the efficiency gaps between the worst and best operation conditions of the system could reach 1.2–5.5% depending on the power output range. To verify the optimization results, the optimal operating conditions were applied to the fuel cell system, and the measured results were compared with the expected optimal values. The discrepancies between the measured and expected values were found to be trivial, indicating that the proposed operation optimization method was quite successful for a substantial increase in the efficiency of the fuel cell system.

A review on the performance and modelling of proton exchange membrane fuel cells

Energy Technology Data Exchange (ETDEWEB)

Boucetta, A., E-mail: abirboucetta@yahoo.fr; Ghodbane, H., E-mail: h.ghodbane@mselab.org; Bahri, M., E-mail: m.bahri@mselab.org [Department of Electrical Engineering, MSE Laboratory, Mohamed khider Biskra University (Algeria); Ayad, M. Y., E-mail: ayadmy@gmail.com [R& D, Industrial Hybrid Vehicle Applications (France)

2016-07-25

Proton Exchange Membrane Fuel Cells (PEMFC), are energy efficient and environmentally friendly alternative to conventional energy conversion for various applications in stationary power plants, portable power device and transportation. PEM fuel cells provide low operating temperature and high-energy efficiency with near zero emission. A PEM fuel cell is a multiple distinct parts device and a series of mass, energy, transport through gas channels, electric current transport through membrane electrode assembly and electrochemical reactions at the triple-phase boundaries. These processes play a decisive role in determining the performance of the Fuel cell, so that studies on the phenomena of gas flows and the performance modelling are made deeply. This paper gives a comprehensive overview of the state of the art on the Study of the phenomena of gas flow and performance modelling of PEMFC.

Carbon Nitride Materials as Efficient Catalyst Supports for Proton Exchange Membrane Water Electrolyzers

Directory of Open Access Journals (Sweden)

Ana Belen Jorge

2018-06-01

Full Text Available Carbon nitride materials with graphitic to polymeric structures (gCNH were investigated as catalyst supports for the proton exchange membrane (PEM water electrolyzers using IrO2 nanoparticles as oxygen evolution electrocatalyst. Here, the performance of IrO2 nanoparticles formed and deposited in situ onto carbon nitride support for PEM water electrolysis was explored based on previous preliminary studies conducted in related systems. The results revealed that this preparation route catalyzed the decomposition of the carbon nitride to form a material with much lower N content. This resulted in a significant enhancement of the performance of the gCNH-IrO2 (or N-doped C-IrO2 electrocatalyst that was likely attributed to higher electrical conductivity of the N-doped carbon support.

The dew point temperature as a criterion for optimizing the operating conditions of proton exchange membrane fuel cells

DEFF Research Database (Denmark)

Berning, Torsten

2012-01-01

In this article an analytical method to calculate the dew point temperatures of the anode and cathode exit gas streams of a proton exchange membrane fuel cell is developed. The results of these calculations are used to create diagrams that show the dew point temperatures as function of the operat...... for conventional flow field plates. The diagrams presented here are created for completely dry inlet gases, but they can be easily corrected for a nonzero inlet relative humidity....

Probing two-photon exchange with OLYMPUS

International Nuclear Information System (INIS)

Kohl, M.

2014-01-01

Two-photon exchange is believed to be responsible for the discrepancies in the proton electric to magnetic form factor ratio found with the Rosenbluth and polarization transfer methods. If this explanation is correct, one expects significant differences in the lepton-proton cross sections between positrons and electrons. The OLYMPUS experiment at DESY in Hamburg, Germany was designed to measure the ratio of unpolarized positron-proton and electron-proton elastic scattering cross sections over a wide kinematic range with high precision, in order to quantify the effect of two-photon exchange. The experiment used intense beams of electrons and positrons stored in the DORIS ring at 2.0 GeV interacting with an internal windowless hydrogen gas target. The current status of OLYMPUS will be discussed. (authors)

Modelling porous active layer electrodes of proton exchange membrane fuel cells; Modelisation des couches actives d'electrodes volumiques de piles a combustible a membrane echangeuse de protons

Energy Technology Data Exchange (ETDEWEB)

Bultel, Yann

1997-07-01

This work focusses on the modeling of mass, charge and heat transfer in the active layers of the volume electrodes of proton exchange membrane fuel cells (PEMFC). A first part describes the structure of fuel cells and the physico-chemical processes taking place at the electrodes. An analysis of the classical models encountered in the literature shows that they all assume that the electro-catalysts is uniformly distributed in a plane or in volume. In a second part, the modeling of mass and charge transport phenomena has been carried out with a numerical calculation software which uses the finite-elements method and which allows to take into consideration the discrete distribution of the catalyst in nano-particulates. The simulations show the limitations of the catalyst use because of the diffusion and ionic ohmic drop both at the electrolyte and particulates scale. In order to improve the modeling of PEMFC fuel cells, the classical models have been modified to consider these local contributions. They require only simple numerical methods, like the finite-differences one. When applied to the oxygen reduction at the cathode or to the hydrogen oxidation at the anode, these models allow to determine the kinetics parameters (exchange current densities and slopes of the Tafel lines) after correction of the active layer diffusion. A modeling of the heat transfers at the active layers scale is proposed. The model takes into account the convective heat transfers between the solid phases and the gas, the electro-osmosis water transfer, and the generation of heat by joule effect and by the electrochemical reactions. Finally, the last chapter presents a study of the reaction mechanisms in the case of porous electrodes using the impedances method. Numerical and analytical models have been developed to calculate the electrode impedances and are applied to the study of oxygen reduction and hydrogen oxidation. (J.S.)

Critical fluctuations of the proton density in A+A collisions at $158A$ GeV

CERN Document Server

Anticic, T.; Bartke, J.; Beck, H.; Betev, L.; Białkowska, H.; Blume, C.; Bogusz, M.; Boimska, B.; Book, J.; Botje, M.; Bunčić, P.; Cetner, T.; Christakoglou, P.; Chvala, O.; Cramer, J.; Eckardt, V.; Fodor, Z.; Foka, P.; Friese, V.; Gaździcki, M.; Grebieszkow, K.; Höhne, C.; Kadija, K.; Karev, A.; Kolesnikov, V.I.; Kowalski, M.; Kresan, D.; Laszlo, A.; Leeuwen, M.; Maćkowiak-Pawłowska, M.; Makariev, M.; Malakhov, A.I.; Mateev, M.; Melkumov, G.L.; Mitrovski, M.; Mrówczyński, St.; Pálla, G.; Panagiotou, A.D.; Peryt, W.; Pluta, J.; Prindle, D.; Pühlhofer, F.; Renfordt, R.; Roland, C.; Roland, G.; Rustamov, A.; Rybczyński, M.; Rybicki, A.; Sandoval, A.; Schmitz, N.; Schuster, T.; Seyboth, P.; Siklér, F.; Skrzypczak, E.; Slodkowski, M.; Stefanek, G.; Stock, R.; Ströbele, H.; Susa, T.; Szuba, M.; Varga, D.; Vassiliou, M.; Veres, G.I.; Vesztergombi, G.; Vranić, D.; Włodarczyk, Z.; Wojtaszek-Szwarć, A.; Antoniou, N.G.; Davis, N.; Diakonos, F.K.

2015-12-12

Studies of QCD suggest the existence of a critical point in the phase diagram of strongly interacting matter. Close to this point, according to recent theoretical investigations, the net-proton density carries the critical fluctuations of the chiral order parameter. Using intermittency analysis in the transverse momentum phase space of protons produced around midrapidity in the 12.5% most central C+C, Si+Si and Pb+Pb collisions at the maximum SPS energy of 158$A$ GeV we find evidence of power-law fluctuations for the Si+Si and Pb+Pb data. The fitted power-law exponent approaches the value expected for critical fluctuations. This suggests that the freeze-out states of these two systems are located in the phase diagram in the neighbourhood of the chiral critical point.

Surface modification of a proton exchange membrane and hydrogen storage in a metal hydride for fuel cells

Science.gov (United States)

Andrews, Lisa

Interest in fuel cell technology is rising as a result of the need for more affordable and available fuel sources. Proton exchange membrane fuel cells involve the catalysis of a fuel to release protons and electrons. It requires the use of a polymer electrolyte membrane to transfer protons through the cell, while the electrons pass through an external circuit, producing electricity. The surface modification of the polymer, NafionRTM, commonly researched as a proton exchange membrane, may improve efficiency of a fuel cell. Surface modification can change the chemistry of the surface of a polymer while maintaining bulk properties. Plasma modification techniques such as microwave discharge of an argon and oxygen gas mixture as well as vacuum-ultraviolet (VUV) photolysis may cause favorable chemical and physical changes on the surface of Nafion for improved fuel cell function. A possible increase in hydrophilicity as a result of microwave discharge experiments may increase proton conductivity. Grafting of acrylic acid from the surface of modified Nafion may decrease the permeation of methanol in a direct methanol fuel cell, a process which can decrease efficiency. Modification of the surface of Nafion samples were carried out using: 1) An indirect Ar/O2 gas mixture plasma investigating the reaction of oxygen radicals with the surface, 2) A direct Ar/O2 gas mixture plasma investigating the reaction of oxygen radicals and VUV radiation with the surface and, 3) VUV photolysis investigating exclusively the interaction of VUV radiation with the surface and any possible oxidation upon exposure to air. Acrylic acid was grafted from the VUV photolysed Nafion samples. All treated surfaces were analyzed using X-ray photoelectron spectroscopy (XPS). Fourier transform infrared spectroscopy (FTIR) was used to analyze the grafted Nafion samples. Scanning electron microscopy (SEM) and contact angle measurements were used to analyze experiments 2 and 3. Using hydrogen as fuel is a

Gas diffusion electrode based on electrospun Pani/CNF nanofibers hybrid for proton exchange membrane fuel cells (PEMFC) applications

Energy Technology Data Exchange (ETDEWEB)

Hezarjaribi, M.; Jahanshahi, M., E-mail: mjahan@nit.ac.ir; Rahimpour, A.; Yaldagard, M.

2014-03-01

A novel hybrid system has been investigated based on polyaniline/carbon nanofiber (Pani/CNF) electrospun nanofibers for modification of gas diffusion electrode (GDE) in proton exchange membrane fuel cells (PEMFC). Pani/CNF hybrid nanofibers were synthesized directly on carbon paper by electrospinning method. For preparation of catalyst ink, 20 wt.% Pt/C electrocatalyst with a platinum loading of 0.4 mg cm{sup −2} was prepared by polyol technique. SEM studies applied for morphological study of the modified GDE with hybrid nanofibers. This technique indicated that the electrospun nanofibers had a diameter of roughly 100 nm. XRD patterns also showed that the average size of Pt nanoparticles was about 2 nm. Subsequently, comparison of the hybrid electrode electrochemical behavior and 20 wt.% Pt/C commercial one was studied by cyclic voltammetry experiment. The electrochemical data indicated that the hybrid electrode exhibited higher current density (about 15 mA cm{sup −2}) and ESA (160 m{sup 2} gr{sup −1}) than commercial Pt/C with amount of about 10 mA cm{sup −2} and 114 m{sup 2} gr{sup −1}, respectively. The results herein demonstrate that Pani/CNF nanofibers can be used as a good alternative electrode material for PEMFCs.

Scattering of a proton with the Li{sub 4} cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Castro, A., E-mail: acastro@bifi.es [Institute for Biocomputation and Physics of Complex Systems (BIFI) and Zaragoza Scientific Center for Advanced Modelling (ZCAM), University of Zaragoza, 50018 Zaragoza (Spain); Isla, M. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain); Martinez, Jose I. [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, ES-28049 Madrid (Spain); Alonso, J.A. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain)

2012-05-03

Graphical abstract: Two trajectories for the collision of a proton with the Lithium tetramer. On the left, the proton is scattered away, and a Li{sub 2} molecule plus two isolated Lithium atoms result. On the right, the proton is captured and a LiH molecule is created. Highlights: Black-Right-Pointing-Pointer Scattering of a proton with Lithium clusters described from first principles. Black-Right-Pointing-Pointer Description based on non-adiabatic molecular dynamics. Black-Right-Pointing-Pointer The electronic structure is described with time-dependent density-functional theory. Black-Right-Pointing-Pointer The method allows to discern reaction channels depending on initial parameters. - Abstract: We have employed non-adiabatic molecular dynamics based on time-dependent density-functional theory to characterize the scattering behavior of a proton with the Li{sub 4} cluster. This technique assumes a classical approximation for the nuclei, effectively coupled to the quantum electronic system. This time-dependent theoretical framework accounts, by construction, for possible charge transfer and ionization processes, as well as electronic excitations, which may play a role in the non-adiabatic regime. We have varied the incidence angles in order to analyze the possible reaction patterns. The initial proton kinetic energy of 10 eV is sufficiently high to induce non-adiabatic effects. For all the incidence angles considered the proton is scattered away, except in one interesting case in which one of the Lithium atoms captures it, forming a LiH molecule. This theoretical formalism proves to be a powerful, effective and predictive tool for the analysis of non-adiabatic processes at the nanoscale.

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

DEFF Research Database (Denmark)

Wellendorff, Jess; Lundgård, Keld Troen; Møgelhøj, Andreas

2012-01-01

A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfit......A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding...... the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error...... sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this....

Probing color-singlet exchange at D0

International Nuclear Information System (INIS)

Abbott, B.; Abolins, M.; Acharya, B.S.

1997-07-01

We present latest preliminary results on hard color-singlet exchange in proton-antiproton collisions. The fraction of dijet events produced via color-singlet exchange is measured as a function of jet transverse energy, dijet pseudorapidity separation, and proton-antiproton center-of-mass energy. These results are qualitatively consistent with a color-singlet fraction that increases with increasing quark-initiated processes

Mechanism of protodesorption—exchange of heavy metal cations for protons in a heterophase system of H{sub 2}O–H{sub 2}SO{sub 4}–MSO{sub 4}—cellulose sorbent

Energy Technology Data Exchange (ETDEWEB)

Kozlov, V.A.; Nikiforova, T.E., E-mail: tatianaenik@mail.ru; Loginova, V.A.; Koifman, O.I.

2015-12-15

Highlights: • Protodesorption takes place with participation of anions. • The interphase indicator MSO{sub 4} is used in ion exchange investigation. • In ion exchange process salt and acid participate in equivalent proportions. • In a protodesorption process proton acts in degree of ½. • M{sup 2+}/2Na{sup +} and M{sup 2+}/2H{sup +} exchanges take place in ion and molecular forms. - Abstract: The influence of pH on the distribution of metal cations [Cd(II), Cu(II), Fe(II), Ni(II), Zn(II)] in a four-component heterophase system (H{sub 2}O–H{sub 2}SO{sub 4}–MSO{sub 4}–cellulose sorbent) was studied. Protodesorption of metal cations was studied with indicator and constant quantities of [MSO{sub 4}] salts and constant solvent–sorbent ratio. Linear dependence lgK{sub DM2+} = f(pH) with tgα = 1/2 of the K{sub DM2+} metal ions distribution coefficients from the acidity of the aqueous phase is observed in logarithmic coordinates. Depression of the exponent corresponding to proton involvement in protodesorption from 2 (theory) to 0.5 (experiment) indicates that anions of the aqueous phase are involved in the process of exchange of metal cation for proton on the anionic centers of the sorbent, which corresponds to participation of the salt and acid components of the system in molecular non-dissociated form in an equivalent proportion H{sub 2}SO{sub 4}/MSO{sub 4} = 1/1. Different behavior of the salt and acid components in ion exchange of cations for cations and cations for protons is due to the differences in the constraint coefficients of their molecular and ionic forms which must be taken into consideration in equations describing thermodynamics of the interphase exchange.

Teledyne Energy Systems, Inc., Proton Exchange Member (PEM) Fuel Cell Engineering Model Powerplant. Test Report: Initial Benchmark Tests in the Original Orientation

Science.gov (United States)

Loyselle, Patricia; Prokopius, Kevin

2011-01-01

Proton Exchange Membrane (PEM) fuel cell technology is the leading candidate to replace the alkaline fuel cell technology, currently used on the Shuttle, for future space missions. During a 5-yr development program, a PEM fuel cell powerplant was developed. This report details the initial performance evaluation test results of the powerplant.

Correlation functional in screened-exchange density functional theory procedures.

Science.gov (United States)

Chan, Bun; Kawashima, Yukio; Hirao, Kimihiko

2017-10-15

In the present study, we have explored several prospects for the further development of screened-exchange density functional theory (SX-DFT) procedures. Using the performance of HSE06 as our measure, we find that the use of alternative correlation functionals (as oppose to PBEc in HSE06) also yields adequate results for a diverse set of thermochemical properties. We have further examined the performance of new SX-DFT procedures (termed HSEB-type methods) that comprise the HSEx exchange and a (near-optimal) reparametrized B97c (c OS,0  = c SS,0  = 1, c OS,1  = -1.5, c OS,2  = -0.644, c SS,1  = -0.5, and c SS,2  = 1.10) correlation functionals. The different variants of HSEB all perform comparably to or slightly better than the original HSE-type procedures. These results, together with our fundamental analysis of correlation functionals, point toward various directions for advancing SX-DFT methods. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Development and Characterization of Gas Diffusion Layer Using Carbon Slurry Dispersed by Ammonium Lauryl Sulfate for Proton Exchange Member Fuel Cells

Science.gov (United States)

Villacorta, Rashida

Gas diffusion layers (GDLs) are a critical and essential part of proton exchange membrane fuel cells (PEMFCs). They carry out various important functions such as transportation of reactants to and from the reaction sites. The material properties and structural characteristics of the substrate and the microporous layer strongly influence fuel cell performance. The microporous layer of the GDLs was fabricated with the carbon slurry dispersed in water containing ammonium lauryl sulfate (ALS) using the wire rod coating method. GDLs were fabricated with different materials to compose the microporous layer and evaluated the effects on PEMFC power output performance. The consistency of the carbon slurry was achieved by adding 25 wt. % of PTFE, a binding agent with a 75:25 ratio of carbon (Pureblack and vapor grown carbon fiber). The GDLs were investigated in PEMFC under various relative humidity (RH) conditions using H2/O2 and H2/Air. GDLs were also fabricated with the carbon slurry dispersed in water containing sodium dodecyl sulfate (SDS) and multiwalled carbon nanotubes (MWCNTs) with isopropyl alcohol (IPA) based for fuel cell performance comparison. MWCNTs and SDS exhibits the highest performance at 60% and 70% RH with a peak power density of 1100 mW.cm-2 and 850 mW.cm-2 using air and oxygen as an oxidant. This means that the gas diffusion characteristics of these two samples were optimum at 60 and 70 % RH with high limiting current density range. It was also found that the composition of the carbon slurry, specifically ALS concentration has the highest peak power density of 1300 and 500mW.cm-2 for both H2/O 2 and H2/Air at 100% RH. However, SDS and MWCNTs demonstrates the lowest power density using air and oxygen as an oxidants at 100% RH.

Iridium-decorated palladium-platinum core-shell catalysts for oxygen reduction reaction in proton exchange membrane fuel cell.

Science.gov (United States)

Wang, Chen-Hao; Hsu, Hsin-Cheng; Wang, Kai-Ching

2014-08-01

Carbon-supported Pt, Pd, Pd-Pt core-shell (Pt(shell)-Pd(core)/C) and Ir-decorated Pd-Pt core-shell (Ir-decorated Pt(shell)-Pd(core)/C) catalysts were synthesized, and their physical properties, electrochemical behaviors, oxygen reduction reaction (ORR) characteristics and proton exchange membrane fuel cell (PEMFC) performances were investigated herein. From the XRD patterns and TEM images, Ir-decorated Pt(shell)-Pd(core)/C has been confirmed that Pt was deposited on the Pd nanoparticle which had the core-shell structure. Ir-decorated Pt(shell)-Pd(core)/C has more positive OH reduction peak than Pt/C, which is beneficial to weaken the binding energy of Pt-OH during the ORR. Thus, Ir-decorated Pt(shell)-Pd(core)/C has higher ORR activity than Pt/C. The maximum power density of H2-O2 PEMFC using Ir-decorated Pt(shell)-Pd(core)/C is 792.2 mW cm(-2) at 70°C, which is 24% higher than that using Pt/C. The single-cell accelerated degradation test of PEMFC using Ir-decorated Pt(shell)-Pd(core)/C shows good durability by the potential cycling of 40,000 cycles. This study concludes that Ir-decorated Pt(shell)-Pd(core)/C has the low Pt content, but it can facilitate the low-cost and high-efficient PEMFC. Copyright © 2013 Elsevier Inc. All rights reserved.

Estimation of Membrane Hydration Status for Standby Proton Exchange Membrane Fuel Cell Systems by Impedance Measurement: First Results on Variable Temperature Stack Characterization

DEFF Research Database (Denmark)

Bidoggia, Benoit; Kær, Søren Knudsen

2013-01-01

Fuel cells are getting growing interest in both backup systems and electric vehicles. Although these systems are characterized by periods of standby, they must be able to start at any instant in the shortest possible time. However, the membranes of which proton exchange membrane fuel cells are made...

Exclusive production of meson pairs and resonances in proton-proton collisions

International Nuclear Information System (INIS)

Lebiedowicz, Piotr; Szczurek, Antoni

2013-01-01

We report a study of the central exclusive production of π + π − and K + K − pairs in high energy hadron-hadron collisions. The amplitude is calculated in the Regge approach including both pomeron and secondary reggeon exchanges and absorption effects due to proton-proton interaction and ππ (KK) rescattering. We discuss a measurement of exclusive production of a scalar χ c0 meson via χ c0 →π + π − , K + K − decay. We find that the relative contribution of resonance states and the ππ (KK) continuum strongly depend on the cut on pion (kaon) transverse momentum. We compare the results with the existing experimental data and present predictions for the RHIC, Tevatron and LHC colliders. We discuss also the f 2 (1270) meson production mediated by an effective tensor pomeron exchanges.

Hydrogen--deuterium exchanges in nucleosides and nucleotides. A mechanism for exchange of the exocyclic amino hydrogens of adenosine

International Nuclear Information System (INIS)

Cross, D.G.; Brown, A.; Fisher, H.F.

1975-01-01

The pH dependence of the apparent first-order rate constant for the exchange of the exocyclic amino hydrogens of adenosine with deuterium from the solvent was measured by stopped-flow ultraviolet spectroscopy. This dependence shows acid catalysis, base catalysis, and spontaneous exchange at neutral pH values. A study of the effect of several buffers on the rates of exchange reveals both general acid and general base catalytic behavior for the exchange process. We propose a general mechanism for the exchange which requires N-1 protonated adenosine as an intermediate for the acid-catalyzed exchange and amidine anion for the base-catalyzed exchange. In both cases the rate-limiting step is the base-catalyzed abstraction of a proton from the exocyclic amino moiety. Evaluation of the rate constants predicts the equilibrium for the exocyclic amino/imino tautomers to be 6.3 x 10 3 :1. (U.S.)

Extended screened exchange functional derived from transcorrelated density functional theory.

Science.gov (United States)

Umezawa, Naoto

2017-09-14

We propose a new formulation of the correlation energy functional derived from the transcorrelated method in use in density functional theory (TC-DFT). An effective Hamiltonian, H TC , is introduced by a similarity transformation of a many-body Hamiltonian, H, with respect to a complex function F: H TC =1FHF. It is proved that an expectation value of H TC for a normalized single Slater determinant, D n , corresponds to the total energy: E[n] = ⟨Ψ n |H|Ψ n ⟩/⟨Ψ n |Ψ n ⟩ = ⟨D n |H TC |D n ⟩ under the two assumptions: (1) The electron density nr associated with a trial wave function Ψ n = D n F is v-representable and (2) Ψ n and D n give rise to the same electron density nr. This formulation, therefore, provides an alternative expression of the total energy that is useful for the development of novel correlation energy functionals. By substituting a specific function for F, we successfully derived a model correlation energy functional, which resembles the functional form of the screened exchange method. The proposed functional, named the extended screened exchange (ESX) functional, is described within two-body integrals and is parametrized for a numerically exact correlation energy of the homogeneous electron gas. The ESX functional does not contain any ingredients of (semi-)local functionals and thus is totally free from self-interactions. The computational cost for solving the self-consistent-field equation is comparable to that of the Hartree-Fock method. We apply the ESX functional to electronic structure calculations for a solid silicon, H - ion, and small atoms. The results demonstrate that the TC-DFT formulation is promising for the systematic improvement of the correlation energy functional.

Impedance study of membrane dehydration and compression in proton exchange membrane fuel cells

Energy Technology Data Exchange (ETDEWEB)

Le Canut, Jean-Marc; Latham, Ruth; Merida, Walter; Harrington, David A. [Institute for Integrated Energy Systems, University of Victoria, Victoria, British Columbia (Canada)

2009-07-15

Electrochemical impedance spectroscopy (EIS) is used to measure drying and rehydration in proton exchange membrane fuel cells running under load. The hysteresis between forward and backward acquisition of polarization curves is shown to be largely due to changes in the membrane resistance. Drying tests are carried out with hydrogen and simulated reformate (hydrogen and carbon dioxide), and quasi-periodic drying and rehydration conditions are studied. The membrane hydration state is clearly linked to the high-frequency arc in the impedance spectrum, which increases in size for dry conditions indicating an increase in membrane resistance. Changes in impedance spectra as external compression is applied to the cell assembly show that EIS can separate membrane and interfacial effects, and that changes in membrane resistance dominate. Reasons for the presence of a capacitance in parallel with the membrane resistance are discussed. (author)

Performance prediction of a proton exchange membrane fuel cell using the ANFIS model

Energy Technology Data Exchange (ETDEWEB)

Vural, Yasemin; Ingham, Derek B.; Pourkashanian, Mohamed [Centre for Computational Fluid Dynamics, University of Leeds, Houldsworth Building, LS2 9JT Leeds (United Kingdom)

2009-11-15

In this study, the performance (current-voltage curve) prediction of a Proton Exchange Membrane Fuel Cell (PEMFC) is performed for different operational conditions using an Adaptive Neuro-Fuzzy Inference System (ANFIS). First, ANFIS is trained with a set of input and output data. The trained model is then tested with an independent set of experimental data. The trained and tested model is then used to predict the performance curve of the PEMFC under various operational conditions. The model shows very good agreement with the experimental data and this indicates that ANFIS is capable of predicting fuel cell performance (in terms of cell voltage) with a high accuracy in an easy, rapid and cost effective way for the case presented. Finally, the capabilities and the limitations of the model for the application in fuel cells have been discussed. (author)

Accelerating parameter identification of proton exchange membrane fuel cell model with ranking-based differential evolution

International Nuclear Information System (INIS)

Gong, Wenyin; Cai, Zhihua

2013-01-01

Parameter identification of PEM (proton exchange membrane) fuel cell model is a very active area of research. Generally, it can be treated as a numerical optimization problem with complex nonlinear and multi-variable features. DE (differential evolution), which has been successfully used in various fields, is a simple yet efficient evolutionary algorithm for global numerical optimization. In this paper, with the objective of accelerating the process of parameter identification of PEM fuel cell models and reducing the necessary computational efforts, we firstly present a generic and simple ranking-based mutation operator for the DE algorithm. Then, the ranking-based mutation operator is incorporated into five highly-competitive DE variants to solve the PEM fuel cell model parameter identification problems. The main contributions of this work are the proposed ranking-based DE variants and their application to the parameter identification problems of PEM fuel cell models. Experiments have been conducted by using both the simulated voltage–current data and the data obtained from the literature to validate the performance of our approach. The results indicate that the ranking-based DE methods provide better results with respect to the solution quality, the convergence rate, and the success rate compared with their corresponding original DE methods. In addition, the voltage–current characteristics obtained by our approach are in good agreement with the original voltage–current curves in all cases. - Highlights: • A simple and generic ranking-based mutation operator is presented in this paper. • Several DE (differential evolution) variants are used to solve the parameter identification of PEMFC (proton exchange membrane fuel cells) model. • Results show that our method accelerates the process of parameter identification. • The V–I characteristics are in very good agreement with experimental data

Photosynthetic solar cell using nanostructured proton exchange membrane for microbial biofilm prevention.

Science.gov (United States)

Lee, Dong Hyun; Oh, Hwa Jin; Bai, Seoung Jae; Song, Young Seok

2014-06-24

Unwanted biofilm formation has a detrimental effect on bioelectrical energy harvesting in microbial cells. This issue still needs to be solved for higher power and longer durability and could be resolved with the help of nanoengineering in designing and manufacturing. Here, we demonstrate a photosynthetic solar cell (PSC) that contains a nanostructure to prevent the formation of biofilm by micro-organisms. Nanostructures were fabricated using nanoimprint lithography, where a film heater array system was introduced to precisely control the local wall temperature. To understand the heat and mass transfer phenomena behind the manufacturing and energy harvesting processes of PSC, we carried out a numerical simulation and experimental measurements. It revealed that the nanostructures developed on the proton exchange membrane enable PSC to produce enhanced output power due to the retarded microbial attachment on the Nafion membrane. We anticipate that this strategy can provide a pathway where PSC can ensure more renewable, sustainable, and efficient energy harvesting performance.

Modeling electrochemical performance in large scale proton exchange membrane fuel cell stacks

Energy Technology Data Exchange (ETDEWEB)

Lee, J H [Los Alamos National Lab., NM (United States); Lalk, T R [Texas A and M Univ., College Station, TX (United States). Dept. of Mechanical Engineering; Appleby, A J [Center for Electrochemical Studies and Hydrogen Research, Texas Engineering Experimentation Station, Texas A and M Univ., College Station, TX (United States)

1998-02-01

The processes, losses, and electrical characteristics of a Membrane-Electrode Assembly (MEA) of a Proton Exchange Membrane Fuel Cell (PEMFC) are described. In addition, a technique for numerically modeling the electrochemical performance of a MEA, developed specifically to be implemented as part of a numerical model of a complete fuel cell stack, is presented. The technique of calculating electrochemical performance was demonstrated by modeling the MEA of a 350 cm{sup 2}, 125 cell PEMFC and combining it with a dynamic fuel cell stack model developed by the authors. Results from the demonstration that pertain to the MEA sub-model are given and described. These include plots of the temperature, pressure, humidity, and oxygen partial pressure distributions for the middle MEA of the modeled stack as well as the corresponding current produced by that MEA. The demonstration showed that models developed using this technique produce results that are reasonable when compared to established performance expectations and experimental results. (orig.)

Proton exchange nanohybrid membranes with high phosphotungstic acid loading within metal-organic frameworks for PEMFC applications

International Nuclear Information System (INIS)

Zhang, Bei; Cao, Ying; Li, Zhen; Wu, Hong; Yin, Yongheng; Cao, Li; He, Xueyi; Jiang, Zhongyi

2017-01-01

A novel approach to in-situ synthesize and encapsulate phosphotungstic acid into the cavity of MIL-101(Cr) using Na 2 WO 4 ·2H 2 O and Na 2 HPO 4 as precursors is presented to increase the acid loading content (31.4 wt.%). The phosphotungstic acid-encapsulating MIL-101(Cr) (HPW@MIL101) is introduced in sulfonated poly(ether ether ketone) (SPEEK) to prepare SPEEK/HPW@MIL101 nanohybrid membranes for PEMFC applications. Due to the introduction of HPW@MIL101, proton-conducting nanochannels are constructed both in the cavity of MIL101 and at the interface between HPW@MIL101 and SPEEK. Meanwhile, due to the hygroscopicity of phosphotungstic acid, the membrane dehydration at elevated temperatures is alleviated. The proton conductivity at low relative humidity is remarkably enhanced. The nanohybrid membrane with 9 wt.% HPW@MIL101 exhibits proton conductivity of 272 mS cm −1 at 65 °C, 100% RH and 6.51 mS cm −1 at 60 °C, 40% RH, which are 45.5% and 7.25 times higher than those of pristine SPEEK membrane (187 mS cm −1 and 0.898 mS cm −1 ), respectively. The single H 2 /O 2 fuel cell with SPEEK/HPW@MIL-9 membrane acquires the power density of 383 mW cm −2 at 100% RH, which is 27.2% higher than that of pristine SPEEK membrane. The peak power density of SPEEK/HPW@MIL-9 membrane at 55% RH is 2.97 times higher than that of pristine SPEEK membrane (79 mW/cm 2 ).

Characterisation of a re-cast composite Nafion 1100 series of proton exchange membranes incorporating inert inorganic oxide particles

International Nuclear Information System (INIS)

Slade, S.M.; Smith, J.R.; Campbell, S.A.; Ralph, T.R.; Ponce de Leon, C.; Walsh, F.C.

2010-01-01

A series of cation exchange membranes was produced by impregnating and coating both sides of a quartz web with a Nafion solution (1100 EW, 10%wt in water). Inert filler particles (SiO 2 , ZrO 2 or TiO 2 ; 5-20%wt) were incorporated into the aqueous Nafion solution to produce robust, composite membranes. Ion-exchange capacity/equivalent weight, water take-up, thickness change on hydration and ionic and electrical conductivity were measured in 1 mol dm -3 sulfuric acid at 298 K. The TiO 2 filler significantly impacted on these properties, producing higher water take-up and increased conductivity. Such membranes may be beneficial for proton exchange membrane (PEM) fuel cell operation at low humidification. The PEM fuel cell performance of the composite membranes containing SiO 2 fillers was examined in a Ballard Mark 5E unit cell. While the use of composite membranes offers a cost reduction, the unit cell performance was reduced, in practice, due to drying of the ionomer at the cathode.

1D + 3D two-phase flow numerical model of a proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Ferreira, Rui B.; Falcão, D.S.; Oliveira, V.B.; Pinto, A.M.F.R.

2017-01-01

Highlights: •A 1D + 3D model of a PEM fuel cell is described and experimentally validated. •VOF method tracks the two-phase flow and electrochemical reactions are considered. •Water dynamics inside a serpentine channel is analyzed for different voltages. •Water content in different regions of channel is quantified. •Important issues on coupling of the VOF model with electrochemical reactions are addressed. -- Abstract: In this work, a numerical model of a proton exchange membrane (PEM) fuel cell is presented. The volume of fluid (VOF) method is employed to simulate the air-water two-phase flow in the cathode gas channel, at the same time that the cell electrochemical performance is predicted. The model is validated against an experimental polarization curve and through the visualization of water distribution inside a transparent fuel cell. The water dynamics inside a serpentine gas channel is numerically analyzed under different operating voltages. Moreover, water content in different regions of the channel is quantified. Current density and water generation rate spatial distributions are also displayed and it is shown how they affect the process of water emergence into the gas channel. Important issues on the simulation of the PEM fuel cells two-phase flow are addressed, especially concerning the coupling of the VOF technique with electrochemical reactions. Both the model and the numerical results aim to contribute to a better understanding of the two-phase flow phenomenon that occurs in these devices.

Exchangers man the pumps

Science.gov (United States)

Barkla, Bronwyn J; Hirschi, Kendal D

2008-01-01

Tonoplast-localised proton-coupled Ca2+ transporters encoded by cation/H+ exchanger (CAX) genes play a critical role in sequestering Ca2+ into the vacuole. These transporters may function in coordination with Ca2+ release channels, to shape stimulus-induced cytosolic Ca2+ elevations. Recent analysis of Arabidopsis CAX knockout mutants, particularly cax1 and cax3, identified a variety of phenotypes including sensitivity to abiotic stresses, which indicated that these transporters might play a role in mediating the plant's stress response. A common feature of these mutants was the perturbation of H+-ATPase activity at both the tonoplast and the plasma membrane, suggesting a tight interplay between the Ca2+/H+ exchangers and H+ pumps. We speculate that indirect regulation of proton flux by the exchangers may be as important as the direct regulation of Ca2+ flux. These results suggest cautious interpretation of mutant Ca2+/H+ exchanger phenotypes that may be due to either perturbed Ca2+ or H+ transport. PMID:19841670

An Equivalent Electrical Circuit Model of Proton Exchange Membrane Fuel Cells Based on Mathematical Modelling

Directory of Open Access Journals (Sweden)

Dinh An Nguyen

2012-07-01

Full Text Available Many of the Proton Exchange Membrane Fuel Cell (PEMFC models proposed in the literature consist of mathematical equations. However, they are not adequately practical for simulating power systems. The proposed model takes into account phenomena such as activation polarization, ohmic polarization, double layer capacitance and mass transport effects present in a PEM fuel cell. Using electrical analogies and a mathematical modeling of PEMFC, the circuit model is established. To evaluate the effectiveness of the circuit model, its static and dynamic performances under load step changes are simulated and compared to the numerical results obtained by solving the mathematical model. Finally, the applicability of our model is demonstrated by simulating a practical system.

Exchange functional by a range-separated exchange hole

International Nuclear Information System (INIS)

Toyoda, Masayuki; Ozaki, Taisuke

2011-01-01

An approximation to the exchange-hole density is proposed for the evaluation of the exact exchange energy in electronic structure calculations within the density-functional theory and the Kohn-Sham scheme. Based on the localized nature of density matrix, the exchange hole is divided into the short-range (SR) and long-range (LR) parts by using an adequate filter function, where the LR part is deduced by matching of moments with the exactly calculated SR counterpart, ensuring the correct asymptotic -1/r behavior of the exchange potential. With this division, the time-consuming integration is truncated at a certain interaction range, largely reducing the computation cost. The total energies, exchange energies, exchange potentials, and eigenvalues of the highest-occupied orbitals are calculated for the noble-gas atoms. The close agreement of the results with the exact values suggests the validity of the approximation.

Optimization of the Pd-Fe-Mo Catalysts for Oxygen Reduction Reaction in Proton-Exchange Membrane Fuel Cells

International Nuclear Information System (INIS)

Lee, Yeayeon; Jang, Jeongseok; Lee, Jin Goo; Jeon, Ok Sung; Kim, Hyeong Su; Hwang, Ho Jung; Shul, Yong Gun

2016-01-01

Highlights: • Pd-Mo-Fe catalysts show high catalytic activity and stability for oxygen-reduction reactions in acid media. • The optimum compositions were 7.5:1.5:1.0 for Pd-Fe-Mo, and the optimum temperatures were 500 °C. • The Pd-Fe-Mo catalysts were successfully applied to the PEMFC cathode, showing ∼500 mA cm −1 at 0.6 V. • The lattice constant was strongly related to the activity and stability of the catalysts for oxygen-reduction reactions. - Abstract: Highly active and durable non-platinum catalysts for oxygen-reduction reaction (ORR) have been developed for energy conversion devices such as proton-exchange membrane fuel cells (PEMFCs). In this study, Pd-Fe-Mo catalyst is reported as a non-platinum catalyst for ORR. The atomic ratio and annealing temperatures are controlled on the catalysts to understand interplay between their physical and chemical properties and electrochemical activities. The Pd-Fe-Mo catalyst optimized with 7.5:1.5:1.0 of the atomic ratio and 500 °C of the annealing temperature shows 32.18 mA mg −1 PGM (PGM: platinum group metal) of the kinetic current density at 0.9 V for ORR, which is comparable to that of commercial Pt/C catalyst. The current density is degraded to 6.20 mA mg −1 PGM after 3000 cycling of cyclic voltammetry, but it is greatly enhanced value compared to other non-platinum catalysts. In actual application to PEMFCs, the 20% Pd-Fe-Mo catalyst supported on carbons exhibits a high performance of 506 mA cm −2 at 0.6 V. The results suggest that the Pd-Fe-Mo catalyst can be a good candidate for non-platinum ORR catalysts.

Importance of balancing membrane and electrode water in anion exchange membrane fuel cells

Science.gov (United States)

Omasta, T. J.; Wang, L.; Peng, X.; Lewis, C. A.; Varcoe, J. R.; Mustain, W. E.

2018-01-01

Anion exchange membrane fuel cells (AEMFCs) offer several potential advantages over proton exchange membrane fuel cells (PEMFCs), most notably to overcome the cost barrier that has slowed the growth and large scale implementation of fuel cells for transportation. However, limitations in performance have held back AEMFCs, specifically in the areas of stability, carbonation, and maximum achievable current and power densities. In order for AEMFCs to contend with PEMFCs for market viability, it is necessary to realize a competitive cell performance. This work demonstrates a new benchmark for a H2/O2 AEMFC with a peak power density of 1.4 W cm-2 at 60 °C. This was accomplished by taking a more precise look at balancing necessary membrane hydration while preventing electrode flooding, which somewhat surprisingly can occur both at the anode and the cathode. Specifically, radiation-grafted ETFE-based anion exchange membranes and anion exchange ionomer powder, functionalized with benchmark benzyltrimethylammonium groups, were utilized to examine the effects of the following parameters on AEMFC performance: feed gas flow rate, the use of hydrophobic vs. hydrophilic gas diffusion layers, and gas feed dew points.

First proton-proton collisions at the LHC as observed with the ALICE detector measurement of the charged particle pseudorapidity density at $\\sqrt{s}$ = 900 GeV

CERN Document Server

Aamodt, K; Abeysekara, U; Abrahantes Quintana, A; Acero, A; Adamová, D; Aggarwal, M M; Aglieri Rinella, G; Agocs, A G; Aguilar Salazar, S; Ahammed, Z; Ahmad, A; Ahmad, N; Ahn, S U; Akimoto, R; Akindinov, A; Aleksandrov, D; Alessandro, B; Alfaro Molina, R; Alici, A; Almaráz Aviña, E; Alme, J; Altini, V; Altinpinar, S; Alt, T; Andrei, C; Andronic, A; Anelli, G; Angelov, V; Anson, C; Anticic, T; Antinori, F; Antinori, S; Antipin, K; Antonczyk, D; Antonioli, P; Anzo, A; Aphecetche, L; Appelshäuser, H; Arcelli, S; Arceo, R; Arend, A; Armesto, N; Arnaldi, R; Aronsson, T; Arsene, I C; Asryan, A; Augustinus, A; Averbeck, R; Awes, T C; Äystö, J; Azmi, M D; Bablok, S; Bach, M; Badalà, A; Baek, Y W; Bagnasco, S; Bailhache, R; Bala, R; Baldisseri, A; Baldit, A; Bán, J; Barbera, R; Barile, F; Barnaföldi, G G; Barnby, L; Barret, V; Bartke, J; Basile, M; Basmanov, V; Bastid, N; Bathen, B; Batigne, G; Batyunya, B; Baumann, C; Bearden, I G; Becker, B; Belikov, I; Bellwied, R; Belmont-Moreno, E; Belogianni, A; Benhabib, L; Beolé, S; Berceanu, I; Bercuci, A; Berdermann, E; Berdnikov, Y; Betev, L; Bhasin, A; Bhati, A K; Bianchi, L; Bianchin, C; Bianchi, N; Bielcík, J; Bielcíková, J; Bilandzic, A; Bimbot, L; Biolcati, E; Blanc, A; Blanco, F; Blanco, F; Blau, D; Blume, C; Boccioli, M; Bock, N; Bogdanov, A; Bøggild, H; Bogolyubsky, M; Bohm, J; Boldizsár, L; Bombara, M; Bombonati, C; Bondila, M; Borel, H; Borshchov, V; Bortolin, C; Bose, S; Bosisio, L; Bossú, F; Botje, M; Böttger, S; Bourdaud, G; Boyer, B; Braun, M; Braun-Munzinger, P; Bravina, L; Bregant, M; Breitner, T; Bruckner, G; Bruna, E; Bruno, G E; Brun, R; Budnikov, D; Buesching, H; Bugaev, K; Buncic, P; Busch, O; Buthelezi, Z; Caffarri, D; Caines, H; Cai, X; Camacho, E; Camerini, P; Campbell, M; Canoa Roman, V; Capitani, G P; Cara Romeo, G; Carena, F; Carena, W; Carminati, F; Casanova Díaz, A; Caselle, M; Castillo Castellanos, J; Castillo Hernandez, J F; Catanescu, V; Cattaruzza, E; Cavicchioli, C; Cerello, P; Chambert, V; Chang, B; Chapeland, S; Charpy, A; Charvet, J L; Chattopadhyay, S; Chattopadhyay, S; Cherney, M; Cheshkov, C; Cheynis, B; Chiavassa, E; Chibante Barroso, V; Chinellato, D D; Chochula, P; Choi, K; Chojnacki, M; Christakoglou, P; Christensen, C H; Christiansen, P; Chujo, T; Chuman, F; Cicalo, C; Cifarelli, L; Cindolo, F; Cleymans, J; Cobanoglu, O; Coffin, J P; Coli, S; Colla, A; Conesa Balbastre, G; Conesa del Valle, Z; Conner, E S; Constantin, P; Contin, G; Contreras, J G; Cormier, T M; Corrales Morales, Y; Cortese, P; Cortés Maldonado, I; Cosentino, M R; Costa, F; Cotallo, M E; Crescio, E; Crochet, P; Cuautle, E; Cunqueiro, L; Cussonneau, J; Dainese, A; Dalsgaard, H H; Danu, A; Dash, A; Dash, S; Das, I; Das, S; de Barros, G O V; De Caro, A; de Cataldo, G; de Cuveland, J; De Falco, A; de Gaspari, M; de Groot, J; De Gruttola, D; de Haas, A P; De Marco, N; de Rooij, R; De Pasquale, S; de Vaux, G; Delagrange, H; Dellacasa, G; Deloff, A; Demanov, V; Dénes, E; Deppman, A; D'Erasmo, G; Derkach, D; Devaux, A; Di Bari, D; Di Giglio, C; Di Liberto, S; Di Mauro, A; Di Nezza, P; Dialinas, M; Díaz, L; Díaz, R; Dietel, T; Ding, H; Divià, R; Djuvsland, Ø; do Amaral Valdiviesso, G; Dobretsov, V; Dobrin, A; Dobrowolski, T; Dönigus, B; Domínguez, I; Dordic, O; Dubey, A K; Dubuisson, J; Ducroux, L; Dupieux, P; Dutta Majumdar, A K; Dutta Majumdar, M R; Elia, D; Emschermann, D; Enokizono, A; Espagnon, B; Estienne, M; Evans, D; Evrard, S; Eyyubova, G; Fabjan, C W; Fabris, D; Faivre, J; Falchieri, D; Fantoni, A; Fasel, M; Fearick, R; Fedunov, A; Fehlker, D; Fekete, V; Felea, D; Fenton-Olsen, B; Feofilov, G; Fernández Téllez, A; Ferreiro, E G; Ferretti, A; Ferretti, R; Figueredo, M A S; Filchagin, S; Fini, R; Fionda, F M; Fiore, E M; Floris, M; Fodor, Z; Foertsch, S; Foka, P; Fokin, S; Formenti, F; Fragiacomo, E; Fragkiadakis, M; Frankenfeld, U; Frolov, A; Fuchs, U; Furano, F; Furget, C; Fusco Girard, M; Gaardhøje, J J; Gadrat, S; Gagliardi, M; Gago, A; Gallio, M; Ganoti, P; Ganti, M S; Garabatos, C; García Trapaga, C; Gebelein, J; Gemme, R; Germain, M; Gheata, A; Gheata, M; Ghidini, B; Ghosh, P; Giraudo, G; Giubellino, P; Gladysz-Dziadus, E; Glasow, R; Glässel, P; Glenn, A; Gomez, R; González Santos, H; González-Trueba, L H; González-Zamora, P; Gorbunov, S; Gorbunov, Y; Gotovac, S; Gottschlag, H; Grabski, V; Grajcarek, R; Grelli, A; Grigoras, A; Grigoras, C; Grigoriev, V; Grigoryan, A; Grinyov, B; Grion, N; Gros, P; Grosse-Oetringhaus, J F; Grossiord, J Y; Grosso, R; Guarnaccia, C; Guber, F; Guernane, R; Guerzoni, B; Gulbrandsen, K; Gulkanyan, H; Gunji, T; Gupta, A; Gupta, R; Gustafsson, H A; Gutbrod, H; Haaland, Ø; Hadjidakis, C; Haiduc, M; Hamagaki, H; Hamar, G; Hamblen, J; Han, B H; Harris, J W; Hartig, M; Harutyunyan, A; Hasch, D; Hasegan, D; Hatzifotiadou, D; Hayrapetyan, A; Heide, M; Heinz, M; Helstrup, H; Herghelegiu, A; Hernández, C; Herrera Corral, G; Herrmann, N; Hetland, K F; Hicks, B; Hiei, A; Hille, P T; Hippolyte, B; Horaguchi, T; Hori, Y; Hristov, P; Hrivnácová, I; Huber, S; Humanic, T J; Hu, S; Hutter, D; Hwang, D S; Ichou, R; Ilkaev, R; Ilkiv, I; Innocenti, P G; Ippolitov, M; Irfan, M; Ivan, C; Ivanov, A; Ivanov, M; Ivanov, V; Iwasaki, T; Jacholkowski, A; Jacobs, P; Jancurová, L; Jangal, S; Janik, R; Jayananda, K; Jena, C; Jena, S; Jirden, L; Jones, G T; Jones, P G; Jovanovic, P; Jung, H; Jung, W; Jusko, A; Kaidalov, A B; Kalcher, S; Kalinák, P; Kalliokoski, T; Kalweit, A; Kamal, A; Kamermans, R; Kanaki, K; Kang, E; Kang, J H; Kapitan, J; Kaplin, V; Kapusta, S; Karavicheva, T; Karpechev, E; Kazantsev, A; Kebschull, U; Keidel, R; Khan, M M; Khan, S A; Khanzadeev, A; Kharlov, Y; Kikola, D; Kileng, B; Kim, D J; Kim, D S; Kim, D W; Kim, H N; Kim, J H; Kim, J; Kim, J S; Kim, M; Kim, M; Kim, S H; Kim, S; Kim, Y; Kirsch, S; Kiselev, S; Kisel, I; Kisiel, A; Klay, J L; Klein-Bösing, C; Klein, J; Kliemant, M; Klovning, A; Kluge, A; Kniege, S; Koch, K; Kolevatov, R; Kolojvari, A; Kondratiev, V; Kondratyeva, N; Konevskih, A; Kornas, E; Kour, R; Kowalski, M; Kox, S; Kozlov, K; Králik, I; Kral, J; Kramer, F; Kraus, I; Kravcáková, A; Krawutschke, T; Krivda, M; Krumbhorn, D; Krus, M; Kryshen, E; Krzewicki, M; Kucheriaev, Y; Kuhn, C; Kuijer, P G; Kumar, L; Kumar, N; Kupczak, R; Kurashvili, P; Kurepin, A; Kurepin, A N; Kuryakin, A; Kushpil, S; Kushpil, V; Kutouski, M; Kvaerno, H; Kweon, M J; Kwon, Y; Lackner, F; Ladrón de Guevara, P; Lafage, V; Lal, C; Lara, C; La Rocca, P; Larsen, D T; Laurenti, G; Lazzeroni, C; Le Bornec, Y; Le Bris, N; Lee, H; Lee, K S; Lee, S C; Lefèvre, F; Lehnert, J; Leistam, L; Lenhardt, M; Lenti, V; León, H; León Monzón, I; León Vargas, H; Lévai, P; Lietava, R; Lindal, S; Lindenstruth, V; Lippmann, C; Lisa, M A; Listratenko, O; Liu, L; Li, Y; Loginov, V; Lohn, S; López Noriega, M; López-Ramírez, R; López Torres, E; Lopez, X; Løvhøiden, G; Lozea Feijo Soares, A; Lunardon, M; Luparello, G; Luquin, L; Lu, S; Lutz, J R; Luvisetto, M; Madagodahettige-Don, D M; Maevskaya, A; Mager, M; Mahajan, A; Mahapatra, D P; Maire, A; Makhlyueva, I; Ma, K; Malaev, M; Maldonado Cervantes, I; Malek, M; Mal'Kevich, D; Malkiewicz, T; Malzacher, P; Mamonov, A; Manceau, L; Mangotra, L; Manko, V; Manso, F; Manzari, V; Mao, Y; Mares, J; Margagliotti, G V; Margotti, A; Marín, A; Martashvili, I; Martinengo, P; Martínez Davalos, A; Martínez García, G; Martínez, M I; Maruyama, Y; Ma, R; Marzari Chiesa, A; Masciocchi, S; Masera, M; Masetti, M; Masoni, A; Massacrier, L; Mastromarco, M; Mastroserio, A; Matthews, Z L; Mattos Tavares, B; Matyja, A; Mayani, D; Mazza, G; Mazzoni, M A; Meddi, F; Menchaca-Rocha, A; Mendez Lorenzo, P; Meoni, M; Mercado Pérez, J; Mereu, P; Miake, Y; Michalon, A; Miftakhov, N; Milosevic, J; Minafra, F; Mischke, A; Miskowiec, D; Mitu, C; Mizoguchi, K; Mlynarz, J; Mohanty, B; Molnar, L; Mondal, M M; Montaño Zetina, L; Monteno, M; Montes, E; Morando, M; Moretto, S; Morsch, A; Moukhanova, T; Muccifora, V; Mudnic, E; Muhuri, S; Müller, H; Munhoz, M G; Munoz, J; Musa, L; Musso, A; Nandi, B K; Nania, R; Nappi, E; Navach, F; Navin, S; Nayak, T K; Nazarenko, S; Nazarov, G; Nedosekin, A; Nendaz, F; Newby, J; Nianine, A; Nicassio, M; Nielsen, B S; Nikolaev, S; Nikolic, V; Nikulin, S; Nikulin, V; Nilsen, B S; Nilsson, M S; Noferini, F; Nomokonov, P; Nooren, G; Novitzky, N; Nyatha, A; Nygaard, C; Nyiri, A; Nystrand, J; Ochirov, A; Odyniec, G; Oeschler, H; Oinonen, M; Okada, K; Okada, Y; Oldenburg, M; Oleniacz, J; Oppedisano, C; Orsini, F; Ortíz Velázquez, A; Ortona, G; Oskamp, C; Oskarsson, A; Osmic, F; Österman, L; Ostrowski, P; Otterlund, I; Otwinowski, J; Øvrebekk, G; Oyama, K; Ozawa, K; Pachmayer, Y; Pachr, M; Padilla, F; Pagano, P; Paic, G; Painke, F; Pajares, C; Palaha, A; Palmeri, A; Pal, S K; Pal, S; Panse, R; Pappalardo, G S; Park, W J; Pastircák, B; Pastore, C; Paticchio, V; Pavlinov, A; Pawlak, T; Peitzmann, T; Pepato, A; Pereira, H; Peressounko, D; Pérez, C; Perini, D; Perrino, D; Peryt, W; Peschek, J; Pesci, A; Peskov, V; Pestov, Y; Peters, A J; Petrácek, V; Petridis, A; Petris, M; Petrovici, M; Petrov, P; Petta, C; Peyré, J; Piano, S; Piccotti, A; Pikna, M; Pillot, P; Pinsky, L; Pitz, N; Piuz, F; Platt, R; Pluta, J; Pocheptsov, T; Pochybova, S; Podesta Lerma, P L M; Poggio, F; Poghosyan, M G; Poghosyan, T; Polák, K; Polichtchouk, B; Polozov, P; Polyakov, V; Pommeresch, B; Pop, A; Posa, F; Pospísil, V; Potukuchi, B; Pouthas, J; Prasad, S K; Preghenella, R; Prino, F; Pruneau, C A; Pshenichnov, I; Puddu, G; Pujahari, P; Pulvirenti, A; Punin, A; Punin, V; Putis, M; Putschke, J; Quercigh, E; Rachevski, A; Rademakers, A; Radomski, S; Räihä, T S; Rak, J; Rakotozafindrabe, A; Ramello, L; Ramírez Reyes, A; Rammler, M; Raniwala, R; Raniwala, S; Räsänen, S; Rashevskaya, I; Rath, S; Read, K F; Real, J; Redlich, K; Renfordt, R; Reolon, A R; Reshetin, A; Rettig, F; Revol, J P; Reygers, K; Ricaud, H; Riccati, L; Ricci, R A; Richter, M; Riedler, P; Riegler, W; Riggi, F; Rivetti, A; Rodriguez Cahuantzi, M; Røed, K; Röhrich, D; Román López, S; Romita, R; Ronchetti, F; Rosinský, P; Rosnet, P; Rossegger, S; Rossi, A; Roukoutakis, F; Rousseau, S; Roy, C; Roy, P; Rubio-Montero, A J; Rui, R; Rusanov, I; Russo, G; Ryabinkin, E; Rybicki, A; Sadovsky, S; Safarík, K; Sahoo, R; Saini, J; Saiz, P; Sakata, D; Salgado, C A; Salgueiro Dominques da Silva, R; Salur, S; Samanta, T; Sambyal, S; Samsonov, V; Sándor, L; Sandoval, A; Sano, M; Sano, S; Santo, R; Santoro, R; Sarkamo, J; Saturnini, P; Scapparone, E; Scarlassara, F; Scharenberg, R P; Schiaua, C; Schicker, R; Schindler, H; Schmidt, C; Schmidt, H R; Schreiner, S; Schuchmann, S; Schukraft, J; Schutz, Y; Schwarz, K; Schweda, K; Scioli, G; Scomparin, E; Segato, G; Semenov, D; Senyukov, S; Seo, J; Serci, S; Serkin, L; Serradilla, E; Sevcenco, A; Sgura, I; Shabratova, G; Shahoyan, R; Sharkov, G; Sharma, N; Sharma, S; Shigaki, K; Shimomura, M; Shtejer, K; Sibiriak, Y; Siciliano, M; Sicking, E; Siddi, E; Siemiarczuk, T; Silenzi, A; Silvermyr, D; Simili, E; Simonetti, G; Singaraju, R; Singhal, V; Singh, R; Sinha, B C; Sinha, T; Sitar, B; Sitta, M; Skaali, T B; Skjerdal, K; Smakal, R; Smirnov, N; Snellings, R; Snow, H; Søgaard, C; Sokolov, O; Soloviev, A; Soltveit, H K; Soltz, R; Sommer, W; Son, C W; Song, M; Son, H S; Soos, C; Soramel, F; Soyk, D; Spyropoulou-Stassinaki, M; Srivastava, B K; Stachel, J; Staley, F; Stan, I; Stefanek, G; Stefanini, G; Steinbeck, T; Stenlund, E; Steyn, G; Stocco, D; Stock, R; Stolpovsky, P; Strmen, P; Suaide, A A P; Subieta Vásquez, M A; Sugitate, T; Suire, C; Sumbera, M; Susa, T; Swoboda, D; Symons, J; Szanto de Toledo, A; Szarka, I; Szostak, A; Szuba, M; Tadel, M; Tagridis, C; Takahara, A; Takahashi, J; Tanabe, R; Tapia Takaki, J D; Taureg, H; Tauro, A; Tavlet, M; Tejeda Muñoz, G; Telesca, A; Terrevoli, C; Thäder, J; Tieulent, R; Tlusty, D; Toia, A; Tolyhy, T; Torcato de Matos, C; Torii, H; Torralba, G; Toscano, L; Tosello, F; Tournaire, A; Traczyk, T; Tribedy, P; Tröger, G; Truesdale, D; Trzaska, W H; Tsiledakis, G; Tsilis, E; Tsuji, T; Tumkin, A; Turrisi, R; Turvey, A; Tveter, T S; Tydesjö, H; Tywoniuk, K; Ulery, J; Ullaland, K; Uras, A; Urbán, J; Urciuoli, G M; Usai, G L; Vacchi, A; Vala, M; Valencia Palomo, L; Vallero, S; van den Brink, A; van der Kolk, N; Vande Vyvre, P; van Leeuwen, M; Vannucci, L; Vargas, A; Varma, R; Vasiliev, A; Vassiliev, I; Vassiliou, M; Vechernin, V; Venaruzzo, M; Vercellin, E; Vergara, S; Vernet, R; Verweij, M; Vetlitskiy, I; Vickovic, L; Viesti, G; Vikhlyantsev, O; Vilakazi, Z; Villalobos Baillie, O; Vinogradov, A; Vinogradov, L; Vinogradov, Y; Virgili, T; Viyogi, Y P; Vodopianov, A; Voloshin, K; Voloshin, S; Volpe, G; von Haller, B; Vranic, D; Vrláková, J; Vulpescu, B; Wagner, B; Wagner, V; Wallet, L; Wan, R; Wang, D; Wang, Y; Watanabe, K; Wen, Q; Wessels, J; Wheadon, R; Wiechula, J; Wikne, J; Wilk, A; Wilk, G; Williams, M C S; Willis, N; Windelband, B; Xu, C; Yang, C; Yang, H; Yasnopolsky, A; Yermia, F; Yi, J; Yin, Z; Yokoyama, H; Yoo, I-K; Yuan, X; Yushmanov, I; Zabrodin, E; Zagreev, B; Zalite, A; Zampolli, C; Zanevsky, Yu; Zaporozhets, Y; Zarochentsev, A; Závada, P; Zbroszczyk, H; Zelnicek, P; Zenin, A; Zepeda, A; Zgura, I; Zhalov, M; Zhang, X; Zhou, D; Zhou, S; Zhu, J; Zichichi, A; Zinchenko, A; Zinovjev, G; Zinovjev, M; Zoccarato, Y; Zychácek, V; Ploskon, M

2010-01-01

On 23rd November 2009, during the early commissioning of the CERN Large Hadron Collider (LHC), two counter-rotating proton bunches were circulated for the first time concurrently in the machine, at the LHC injection energy of 450 GeV per beam. Although the proton intensity was very low, with only one pilot bunch per beam, and no systematic attempt was made to optimize the collision optics, all LHC experiments reported a number of collision candidates. In the ALICE experiment, the collision region was centred very well in both the longitudinal and transverse directions and 284 events were recorded in coincidence with the two passing proton bunches. The events were immediately reconstructed and analyzed both online and offline. We have used these events to measure the pseudorapidity density of charged primary particles in the central region. In the range |eta| < 0.5, we obtain dNch/deta = 3.10 +- 0.13 (stat.) +- 0.22 (syst.) for all inelastic interactions, and dNch/deta = 3.51 +- 0.15 (stat.) +- 0.25 (syst.)...

Acoustic noise reduction in T 1- and proton-density-weighted turbo spin-echo imaging.

Science.gov (United States)

Ott, Martin; Blaimer, Martin; Breuer, Felix; Grodzki, David; Heismann, Björn; Jakob, Peter

2016-02-01

To reduce acoustic noise levels in T 1-weighted and proton-density-weighted turbo spin-echo (TSE) sequences, which typically reach acoustic noise levels up to 100 dB(A) in clinical practice. Five acoustic noise reduction strategies were combined: (1) gradient ramps and shapes were changed from trapezoidal to triangular, (2) variable-encoding-time imaging was implemented to relax the phase-encoding gradient timing, (3) RF pulses were adapted to avoid the need for reversing the polarity of the slice-rewinding gradient, (4) readout bandwidth was increased to provide more time for gradient activity on other axes, (5) the number of slices per TR was reduced to limit the total gradient activity per unit time. We evaluated the influence of each measure on the acoustic noise level, and conducted in vivo measurements on a healthy volunteer. Sound recordings were taken for comparison. An overall acoustic noise reduction of up to 16.8 dB(A) was obtained by the proposed strategies (1-4) and the acquisition of half the number of slices per TR only. Image quality in terms of SNR and CNR was found to be preserved. The proposed measures in this study allowed a threefold reduction in the acoustic perception of T 1-weighted and proton-density-weighted TSE sequences compared to a standard TSE-acquisition. This could be achieved without visible degradation of image quality, showing the potential to improve patient comfort and scan acceptability.

Multi-dimensional modeling of CO poisoning effects on proton exchange membrane fuel cells (PEMFCs)

International Nuclear Information System (INIS)

Ju, Hyun Chul; Lee, Kwan Soo; Um, Suk Kee

2008-01-01

Carbon monoxide (CO), which is preferentially absorbed on the platinum catalyst layer of a proton exchange membrane fuel cell (PEMFC), is extremely detrimental to cell performance. Essentially, the carbon monoxide absorption diminishes the cell's performance by blocking and reducing the number of catalyst sites available for the hydrogen oxidation reaction. In order to obtain a full understanding of CO poisoning characteristics and remediate CO-poisoned PEMFCs, a CO poisoning numerical model is developed and incorporated into a fully three-dimensional electrochemical and transport coupled PEMFC model. By performing CFD numerical simulations, this paper clearly demonstrates the CO poisoning mechanisms and characteristics of PEMFCs. The predictive capability for CO poisoning effects enables us to find major contributors to CO tolerance in a PEMFC and thus successfully integrate CO-resistant fuel cell systems

Exclusive production of meson pairs and resonances in proton-proton collisions

Energy Technology Data Exchange (ETDEWEB)

Lebiedowicz, Piotr [Institute of Nuclear Physics PAN, PL-31-342 Cracow (Poland); Szczurek, Antoni [Institute of Nuclear Physics PAN, PL-31-342 Cracow, Poland and University of Rzeszow, PL-35-959 Rzeszow (Poland)

2013-04-15

We report a study of the central exclusive production of {pi}{sup +}{pi}{sup -} and K{sup +}K{sup -} pairs in high energy hadron-hadron collisions. The amplitude is calculated in the Regge approach including both pomeron and secondary reggeon exchanges and absorption effects due to proton-proton interaction and {pi}{pi} (KK) rescattering. We discuss a measurement of exclusive production of a scalar {chi}{sub c0} meson via {chi}{sub c0}{yields}{pi}{sup +}{pi}{sup -}, K{sup +}K{sup -} decay. We find that the relative contribution of resonance states and the {pi}{pi} (KK) continuum strongly depend on the cut on pion (kaon) transverse momentum. We compare the results with the existing experimental data and present predictions for the RHIC, Tevatron and LHC colliders. We discuss also the f{sub 2} (1270) meson production mediated by an effective tensor pomeron exchanges.

Tools for designing the cooling system of a proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Soupremanien, Ulrich; Le Person, Stéphane; Favre-Marinet, Michel; Bultel, Yann

2012-01-01

Proton exchange membrane fuel cell (PEMFC) requires a careful management of the heat distribution inside the stack. The proton exchange membrane is the most sensitive element of this thermal management and it must operate under specific conditions in order to increase the lifetime and also the output power of the fuel cell. These last decades, the enhancement of the output power of the PEMFC has led the manufacturers to greatly improve the heat transfer effectiveness for cooling such systems. In addition, homogenizing the bipolar plate temperature increases the lifetime of the system by limiting the occurrence of strong thermal gradients. In this context, using a fluid in boiling conditions to cool down the PEMFC seems to be very suitable for this purpose. In order to compare the thermal performances between a coolant used in single-phase flow or in boiling flow conditions, we have built an experimental set-up allowing the investigation of cooling flows for these two conditions. Moreover, the geometry of the cooling channels is one of the key parameters which allows the improvement of the thermal performances. Indeed, the size or the aspect ratio of these channels could be designed in order to decrease the thermal system response. The sizing of the fuel cell cooling system is of paramount importance in boiling flow conditions because it can modify, not only the pressure losses along the channel and the heat transfer coefficient like in a single-phase flow but also, the onset of nucleate boiling (ONB) and the dryout point or critical heat flux (CHF). Thus, in order to understand some heat transfer mechanisms, which are geometry-dependent, a parametric study was completed by considering flows in four different rectangular channels. Finally, this study allows a better insight on the optimization of the geometrical parameters which improve the thermal performances of a PEMFC, from a cooling strategy aspect point of view. - Highlights: ► Parameters for the using of a

Proton exchange membrane fuel cell for cooperating households: A convenient combined heat and power solution for residential applications

International Nuclear Information System (INIS)

Cappa, Francesco; Facci, Andrea Luigi; Ubertini, Stefano

2015-01-01

In this paper we compare the technical and economical performances of a high temperature proton exchange membrane fuel cell with those of an internal combustion engine for a 10 kW combined heat and power residential application. In a view of social innovation, this solution will create new partnerships of cooperating families aiming to reduce the energy consumption and costs. The energy system is simulated through a lumped model. We compare, in the Italian context, the total daily operating cost and energy savings of each system with respect to the separate purchase of electricity from the grid and production of the thermal energy through a standard boiler. The analysis is carried out with the energy systems operating with both the standard thermal tracking and an optimized management. The latter is retrieved through an optimization methodology based on the graph theory. We show that the internal combustion engine is much more affected by the choice of the operating strategy with respect to the fuel cell, in terms long term profitability. Then we conduct a net present value analysis with the aim of evidencing the convenience of using a high temperature proton exchange membrane fuel cell for cogeneration in residential applications. - Highlights: • Fuel cells are a feasible and economically convenient solution for residential CHP. • Control strategy is fundamental for the economical performance of a residential CHP. • Flexibility is a major strength of the fuel cell CHP.

Degradation modeling and operational optimization for improving the lifetime of high-temperature PEM (proton exchange membrane) fuel cells

International Nuclear Information System (INIS)

Kim, Jintae; Kim, Minjin; Kang, Taegon; Sohn, Young-Jun; Song, Taewon; Choi, Kyoung Hwan

2014-01-01

High-temperature PEMFCs (proton exchange membrane fuel cells) using PA (phosphoric acid)-doped PBI (polybenzimidazole) membranes have received attention as a potential solution to several of the issues with traditional low-temperature PEMFCs. However, the durability of high-temperature PEMFCs deteriorates rapidly with increasing temperature, although its performance improves. This characteristic makes it difficult to select the proper operating temperature to achieve its target lifetime. In this paper, to resolve this problem, models were developed to predict the performance and durability of the high-temperature PEMFC as a function of operating temperature. The optimal operating temperature was then determined for a variety of lifetimes. Theoretical model to estimate cell performance and empirical model to predict the degradation rate of cell performance were constructed, respectively. The prediction results of the developed models agreed well with the experimental data. From the simulation, we could obtain higher average cell performances by optimizing the operating temperature for the given target lifetime compared to the cell performance at some temperatures determined using an existing rule of thumb. It is expected that the proposed methodologies will lead to the more rapid commercialization of this technology in such applications as stationary and automotive fuel cell systems. - Highlights: • High-temperature PEMFCs (proton exchange membrane fuel cells). • Operational optimization for improving the lifetime. • Development of the degradation modeling for high-temperature PEMFCs

A novel proton exchange membrane fuel cell based power conversion system for telecom supply with genetic algorithm assisted intelligent interfacing converter

International Nuclear Information System (INIS)

Kaur, Rajvir; Krishnasamy, Vijayakumar; Muthusamy, Kaleeswari; Chinnamuthan, Periasamy

2017-01-01

Highlights: • Proton exchange membrane fuel cell based telecom tower supply is proposed. • The use of diesel generator is eliminated and battery size is reduced. • Boost converter based intelligent interfacing unit is implemented. • The genetic algorithm assisted controller is proposed for effective interfacing. • The controller is robust against input and output disturbance rejection. - Abstract: This paper presents the fuel cell based simple electric energy conversion system for supplying the telecommunication towers to reduce the operation and maintenance cost of telecom companies. The telecom industry is at the boom and is penetrating deep into remote rural areas having unreliable or no grid supply. The telecom industry is getting heavily dependent on a diesel generator set and battery bank as a backup for continuously supplying a base transceiver station of telecom towers. This excessive usage of backup supply resulted in increased operational expenditure, the unreliability of power supply and had become a threat to the environment. A significant development and concern of clean energy sources, proton exchange membrane fuel cell based supply for base transceiver station is proposed with intelligent interfacing unit. The necessity of the battery bank capacity is significantly reduced as compared with the earlier solutions. Further, a simple closed loop and genetic algorithm assisted controller is proposed for intelligent interfacing unit which consists of power electronic boost converter for power conditioning. The proposed genetic algorithm assisted controller would ensure the tight voltage regulation at the DC distribution bus of the base transceiver station. Also, it will provide the robust performance of the base transceiver station under telecom load variation and proton exchange membrane fuel cell output voltage fluctuations. The complete electric energy conversion system along with telecom loads is simulated in MATLAB/Simulink platform and

Behaviour of the electron density near an impurity with exchange and correlation

International Nuclear Information System (INIS)

Adawi, I.; Godwin, V.E.

1982-09-01

The behaviour of the electron density n(r) and potential energy V(r) near an impurity of charge Z is studied in the linear response theory of metals with exchange and correlation. The leading two terms in nsub(odd)(r) and the first three terms in Vsub(odd)(r) are the same as in the Lindhard theory, but corrections appear in the higher terms of the odd powers expansions of these functions. In all quantum linear response theories, the derivative n'(0)=-2Zn 0 /a 0 where n 0 is the free electron gas density and a 0 is the Bohr radius. (author)

Second-order optical nonlinearities in dilute melt proton exchange waveguides in z-cut LiNbO3

DEFF Research Database (Denmark)

Veng, Torben Erik; Skettrup, Torben; Pedersen, Kjeld

1996-01-01

Planar optical waveguides with different refractive indices are made in z-cut LiNbO3 with a dilute proton exchange method using a system of glycerol containing KHSO4 and lithium benzoate. The optical second-order susceptibilities of these waveguides are measured by detecting the 266 nm reflected...... second-harmonic signal generated by a 532 nm beam directed onto the waveguide surface. It is found for this kind of waveguides that in the waveguide region all the second-order susceptibilities take values of at least 90% of the original LiNbO; values for refractive index changes less than similar to 0...

Employing Hot Wire Anemometry to Directly Measure the Water Balance of a Proton Exchange Membrane Fuel Cell

DEFF Research Database (Denmark)

Shakhshir, Saher Al; Berning, Torsten

Proton exchange membrane fuel cells (PEMFC’s) are currently being commercialized for various applications ranging from automotive to stationary such as powering telecom back-up units. In PEMFC’s, oxygen from air is internally combined with hydrogen to form water and produce electricity and waste......-hoc and real time electrical signal of the fuel cell water balance by employing hot wire anemometry. The hot wire sensor is placed into a binary mixture of hydrogen and water vapour, and the voltage signal received gives valuable insight into heat and mass transfer phenomena in a PEMFC. A central question...

Proton exchange membrane fuel cells for electrical power generation on-board commercial airplanes.

Energy Technology Data Exchange (ETDEWEB)

Curgus, Dita Brigitte; Munoz-Ramos, Karina (Sandia National Laboratories, Albuquerque, NM); Pratt, Joseph William; Akhil, Abbas Ali (Sandia National Laboratories, Albuquerque, NM); Klebanoff, Leonard E.; Schenkman, Benjamin L. (Sandia National Laboratories, Albuquerque, NM)

2011-05-01

Deployed on a commercial airplane, proton exchange membrane fuel cells may offer emissions reductions, thermal efficiency gains, and enable locating the power near the point of use. This work seeks to understand whether on-board fuel cell systems are technically feasible, and, if so, if they offer a performance advantage for the airplane as a whole. Through hardware analysis and thermodynamic and electrical simulation, we found that while adding a fuel cell system using today's technology for the PEM fuel cell and hydrogen storage is technically feasible, it will not likely give the airplane a performance benefit. However, when we re-did the analysis using DOE-target technology for the PEM fuel cell and hydrogen storage, we found that the fuel cell system would provide a performance benefit to the airplane (i.e., it can save the airplane some fuel), depending on the way it is configured.

Proton Exchange Membrane Fuel Cells for Electrical Power Generation On-Board Commercial Airplanes

Energy Technology Data Exchange (ETDEWEB)

Pratt, Joesph W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Klebanoff, Leonard E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Munoz-Ramos, Karina [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Akhil, Abbas A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Curgus, Dita B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Schenkman, Benjamin L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2011-05-01

Deployed on a commercial airplane, proton exchange membrane fuel cells may offer emissions reductions, thermal efficiency gains, and enable locating the power near the point of use. This work seeks to understand whether on-board fuel cell systems are technically feasible, and, if so, if they offer a performance advantage for the airplane as a whole. Through hardware analysis and thermodynamic and electrical simulation, we found that while adding a fuel cell system using today’s technology for the PEM fuel cell and hydrogen storage is technically feasible, it will not likely give the airplane a performance benefit. However, when we re-did the analysis using DOE-target technology for the PEM fuel cell and hydrogen storage, we found that the fuel cell system would provide a performance benefit to the airplane (i.e., it can save the airplane some fuel), depending on the way it is configured.

Analysis and optimization of a proton exchange membrane fuel cell using modeling techniques

International Nuclear Information System (INIS)

Torre Valdés, Ing. Raciel de la; García Parra, MSc. Lázaro Roger; González Rodríguez, MSc. Daniel

2015-01-01

This paper proposes a three-dimensional, non-isothermal and steady-state model of Proton Exchange Membrane Fuel Cell using Computational Fluid Dynamic techniques, specifically ANSYS FLUENT 14.5. It's considered multicomponent diffusion and two-phasic flow. The model was compared with experimental published data and with another model. The operation parameters: reactants pressure and temperature, gases flow direction, gas diffusion layer and catalyst layer porosity, reactants humidification and oxygen concentration are analyzed. The model allows the fuel cell design optimization taking in consideration the channels dimensions, the channels length and the membrane thickness. Furthermore, fuel cell performance is analyzed working with SPEEK membrane, an alternative electrolyte to Nafion. In order to carry on membrane material study, it's necessary to modify the expression that describes the electrolyte ionic conductivity. It's found that the device performance has got a great sensibility to pressure, temperature, reactant humidification and oxygen concentration variations. (author)

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization.

Science.gov (United States)

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-28

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization

Science.gov (United States)

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-01

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

The neutron/proton ratio of squeezed-out nucleons and the high density behavior of the nuclear symmetry energy

International Nuclear Information System (INIS)

Yong Gaochan; Li Baoan; Chen Liewen

2007-01-01

Within a transport model it is shown that the neutron/proton ratio of squeezed-out nucleons perpendicular to the reaction plane, especially at high transverse momenta, in heavy-ion reactions induced by high energy neutron-rich nuclei can be a useful tool for studying the high density behavior of the nuclear symmetry energy

On the Experimental Investigation of the Clamping Pressure Effects on the Proton Exchange Membrane Water Electrolyser Cell Performance

DEFF Research Database (Denmark)

Al Shakhshir, Saher; Frensch, Steffen Henrik; Kær, Søren Knudsen

2017-01-01

energy sources. The proton exchange membrane water electrolyser(PEMWE) is the most candidate technology to produce hydrogen from renewable energysources. PEMWE cell splits water into hydrogen and oxygen when an electric current is passedthrough it. Electrical current forces the positively charged ions...... to migrate to negatively chargedcathode, where hydrogen is reduced. Meanwhile, oxygen is produced at the anode sideelectrode and escape as a gas with the circulating water. In the recent few years, PEMWE’s R&D has inched towards; operating conditions; such asincreased operating temperature and cathode...

Energetic magnetospheric protons in the plasma depletion layer

International Nuclear Information System (INIS)

Fuselier, S.A.

1992-01-01

Interplanetary magnetic field draping against the Earth's dayside subsolar magnetopause creates a region of reduced plasma density and increased magnetic field called the plasma depletion layer. In this region, leakage of energetic ions from the Earth's magnetosphere onto magnetic field lines in the plasma depletion layer can be studied without interference from ions accelerated at the Earth's quasi-parallel bow shock. Active Magnetospheric Particle Tracer Experiment/Charge Composition Explorer (AMPTE/CCE) observations for 13 plasma depletion layer events are used to determine the characteristics of energetic protons between a few keV/e and ∼100keV/e leaked from the magnetosphere. Results indicate that the leaked proton distributions resemble those in the magnetosphere except that they have lower densities and temperatures and much higher velocities parallel (or antiparallel) and perpendicular to the magnetic field. Compared to the low-energy magnetosheath proton distributions present in the depletion layer, the leaked energetic proton distributions typically have substantially higher flow velocities along the magnetic field indicate that the leaked energetic proton distributions to contribute to the energetic proton population seen upstream and downstream from the quasi-parallel bow shock. However, their contribution is small compared to the contribution from acceleration of protons at the bow shock because the leaked proton densities are on the order of 10 times smaller than the energetic proton densities typically observed in the vicinity of the quasi-parallel bow shock

Poly (fluorenyl ether ketone) ionomers containing separated hydrophilic multiblocks used in fuel cells as proton exchange membranes

Energy Technology Data Exchange (ETDEWEB)

Hu, H.; Xiao, M.; Wang, S.J.; Meng, Y.Z. [State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-Sen University, Guangzhou 510275 (China); The Key Laboratory of Low-carbon Chemistry and Energy Conservation of Guangdong Province, Sun Yat-Sen University, Guangzhou 510275 (China)

2010-01-15

A series of sulfonated poly(fluorenyl ether ketone) with different hydrophilic block lengths were synthesized via a two-step one-pot polymerization from 9,9'-bis(4-Hydroxypheyl) fluorine, 3,3'-disulfonated-4,4'-difluorobenzophenone, and 4,4'-difluorobenzophenone. The resulting sulfonated block polymers with high inherent viscosity (0.8-1.37 dL/g) were very soluble in polar organic solvents and can form flexible and transparent membranes by casting from their solutions. Transmission electron microscope (TEM) was used to examine the microstructure of the membranes and the results revealed that significant hydrophilic/hydrophobic microphase separation was produced. The effects of the multiblock structure and/or length were investigated by comparison of the properties of the multiblock copolymer and the corresponding random structure. The multiblock structure can provide enhanced proton transport, especially under partially hydrated conditions. The as-made membranes can also exhibit better oxidative stability and single cell performance than random copolymer. The multiblock structure design method provides a useful way to prepare proton exchange membrane used in PEM fuel cells. (author)

Delayed protons and properties of proton-rich nuclei

International Nuclear Information System (INIS)

Karnaukhov, V.A.

1976-01-01

The object of the investigation is to study the properties of proton-rich nuclei. The emphasis in the proposed survey is made on investigations in the range of Z > 50. Measurement of the total energy in emission of delayed protons (DP) enables one to determine the difference between the masses of initial and final isotopes. The statistical model of the DP emission is used for describing the proton spectrum. A comparison of the DP experimental and theoretical spectra shows that the presence of local resonances in the strength functions of the β dacay is rather a rule than an exception. Studies into the fine structure of the proton spectra supply information of the density of nuclei considerably removed from the β-stability line at the excitation energies of 3-7 MeV. The aproaches for retrieval of nuclear information with the aid of proton radiators developed so far can serve as a good basis for systematic investigation over a wide range of A and Z

Sparse-view proton computed tomography using modulated proton beams

Energy Technology Data Exchange (ETDEWEB)

Lee, Jiseoc; Kim, Changhwan; Cho, Seungryong, E-mail: scho@kaist.ac.kr [Department of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology, Daejon 305-701 (Korea, Republic of); Min, Byungjun [Department of Radiation Oncology, Kangbuk Samsung Hospital, 110–746 (Korea, Republic of); Kwak, Jungwon [Department of Radiation Oncology, Asan Medical Center, 138–736 (Korea, Republic of); Park, Seyjoon; Lee, Se Byeong [Proton Therapy Center, National Cancer Center, 410–769 (Korea, Republic of); Park, Sungyong [Proton Therapy Center, McLaren Cancer Institute, Flint, Michigan 48532 (United States)

2015-02-15

Purpose: Proton imaging that uses a modulated proton beam and an intensity detector allows a relatively fast image acquisition compared to the imaging approach based on a trajectory tracking detector. In addition, it requires a relatively simple implementation in a conventional proton therapy equipment. The model of geometric straight ray assumed in conventional computed tomography (CT) image reconstruction is however challenged by multiple-Coulomb scattering and energy straggling in the proton imaging. Radiation dose to the patient is another important issue that has to be taken care of for practical applications. In this work, the authors have investigated iterative image reconstructions after a deconvolution of the sparsely view-sampled data to address these issues in proton CT. Methods: Proton projection images were acquired using the modulated proton beams and the EBT2 film as an intensity detector. Four electron-density cylinders representing normal soft tissues and bone were used as imaged object and scanned at 40 views that are equally separated over 360°. Digitized film images were converted to water-equivalent thickness by use of an empirically derived conversion curve. For improving the image quality, a deconvolution-based image deblurring with an empirically acquired point spread function was employed. They have implemented iterative image reconstruction algorithms such as adaptive steepest descent-projection onto convex sets (ASD-POCS), superiorization method–projection onto convex sets (SM-POCS), superiorization method–expectation maximization (SM-EM), and expectation maximization-total variation minimization (EM-TV). Performance of the four image reconstruction algorithms was analyzed and compared quantitatively via contrast-to-noise ratio (CNR) and root-mean-square-error (RMSE). Results: Objects of higher electron density have been reconstructed more accurately than those of lower density objects. The bone, for example, has been reconstructed

An investigation of proton conductivity of binary matrices sulfonated ...

Indian Academy of Sciences (India)

to their potential applications in proton exchange membrane fuel cells (PEMFCs) ... is highly sulfonated and has high water uptake property.11,12 The proton conductivity ... SPSU membranes have lower gas permeability and liquid. (water and ...

The effects of irradiation and proton implantation on the density of mobile protons in SiO2 films

International Nuclear Information System (INIS)

Vanheusden, K.

1998-04-01

Proton implantation into the buried oxide of Si/SiO 2 /Si structures does not introduce mobile protons. The cross section for capture of radiation-induced electrons by mobile protons is two orders of magnitude smaller than for electron capture by trapped holes. The data provide new insights into the atomic mechanisms governing the generation and radiation tolerance of mobile protons in SiO 2 . This can lead to improved techniques for production and radiation hardening of radiation tolerant memory devices

Experimental study of commercial size proton exchange membrane fuel cell performance

International Nuclear Information System (INIS)

Yan, Wei-Mon; Wang, Xiao-Dong; Lee, Duu-Jong; Zhang, Xin-Xin; Guo, Yi-Fan; Su, Ay

2011-01-01

Commercial sized (16 x 16 cm 2 active surface area) proton exchange membrane (PEM) fuel cells with serpentine flow chambers are fabricated. The GORE-TEX (registered) PRIMEA 5621 was used with a 35-μm-thick PEM with an anode catalyst layer with 0.45 mg cm -2 Pt and cathode catalyst layer with 0.6 mg cm -2 Pt and Ru or GORE-TEX (registered) PRIMEA 57 was used with an 18-μm-thick PEM with an anode catalyst layer at 0.2 mg cm -2 Pt and cathode catalyst layer at 0.4 mg cm -2 of Pt and Ru. At the specified cell and humidification temperatures, the thin PRIMEA 57 membrane yields better cell performance than the thick PRIMEA 5621 membrane, since hydration of the former is more easily maintained with the limited amount of produced water. Sufficient humidification at both the cathode and anode sides is essential to achieve high cell performance with a thick membrane, like the PRIMEA 5621. The optimal cell temperature to produce the best cell performance with PRIMEA 5621 is close to the humidification temperature. For PRIMEA 57, however, optimal cell temperature exceeds the humidification temperature.

The pathway for serial proton supply to the active site of nitrogenase: enhanced density functional modeling of the Grotthuss mechanism.

Science.gov (United States)

Dance, Ian

2015-11-07

Nitrogenase contains a well defined and conserved chain of water molecules leading to the FeMo cofactor (FeMo-co, an [Fe7MoCS9] cluster with bidentate chelation of Mo by homocitrate) that is the active site where N2 and other substrates are sequentially hydrogenated using multiple protons and electrons. The function of this chain is proposed to be a proton wire, serially translocating protons to triply-bridging S3B of FeMo-co, where, concomitant with electron transfer to FeMo-co, an H atom is generated on S3B. Density functional simulations of this proton translocation mechanism are reported here, using a large 269-atom model that includes all residues hydrogen bonded to and surrounding the water chain, and likely to influence proton transfer: three carboxylate O atoms of obligatory homocitrate are essential. The mechanism involves the standard two components of the Grotthuss mechanism, namely H atom slides that shift H3O(+) from one water site to the next, and HOH molecular rotations that convert backward (posterior) OH bonds in the water chain to forward (anterior) OH bonds. The topography of the potential energy surface for each of these steps has been mapped. H atom slides pass through very short (ca. 2.5 Å) O-H-O hydrogen bonds, while HOH rotations involve the breaking of O-HO hydrogen bonds, and the occurrence of long (up to 3.6 Å) separations between contiguous water molecules. Both steps involve low potential energy barriers, chain, occurring as ripples. These characteristics of the 'Grotthuss two-step', coupled with a buffering ability of two carboxylate O atoms of homocitrate, and combined with density functional characterisation of the final proton slide from the ultimate water molecule to S3B (including electron addition), have been choreographed into a complete mechanism for serial hydrogenation of FeMo-co. The largest potential barrier is estimated to be 14 kcal mol(-1). These results are discussed in the context of reactivity data for nitrogenase

Chemical exchange rotation transfer imaging of intermediate-exchanging amines at 2 ppm.

Science.gov (United States)

Zu, Zhongliang; Louie, Elizabeth A; Lin, Eugene C; Jiang, Xiaoyu; Does, Mark D; Gore, John C; Gochberg, Daniel F

2017-10-01

Chemical exchange saturation transfer (CEST) imaging of amine protons exchanging at intermediate rates and whose chemical shift is around 2 ppm may provide a means of mapping creatine. However, the quantification of this effect may be compromised by the influence of overlapping CEST signals from fast-exchanging amines and hydroxyls. We aimed to investigate the exchange rate filtering effect of a variation of CEST, named chemical exchange rotation transfer (CERT), as a means of isolating creatine contributions at around 2 ppm from other overlapping signals. Simulations were performed to study the filtering effects of CERT for the selection of transfer effects from protons of specific exchange rates. Control samples containing the main metabolites in brain, bovine serum albumin (BSA) and egg white albumen (EWA) at their physiological concentrations and pH were used to study the ability of CERT to isolate molecules with amines at 2 ppm that exchange at intermediate rates, and corresponding methods were used for in vivo rat brain imaging. Simulations showed that exchange rate filtering can be combined with conventional filtering based on chemical shift. Studies on samples showed that signal contributions from creatine can be separated from those of other metabolites using this combined filter, but contributions from protein amines may still be significant. This exchange filtering can also be used for in vivo imaging. CERT provides more specific quantification of amines at 2 ppm that exchange at intermediate rates compared with conventional CEST imaging. Copyright © 2017 John Wiley & Sons, Ltd.

Rapid and quantitative chemical exchange saturation transfer (CEST) imaging with magnetic resonance fingerprinting (MRF).

Science.gov (United States)

Cohen, Ouri; Huang, Shuning; McMahon, Michael T; Rosen, Matthew S; Farrar, Christian T

2018-05-13

To develop a fast magnetic resonance fingerprinting (MRF) method for quantitative chemical exchange saturation transfer (CEST) imaging. We implemented a CEST-MRF method to quantify the chemical exchange rate and volume fraction of the N α -amine protons of L-arginine (L-Arg) phantoms and the amide and semi-solid exchangeable protons of in vivo rat brain tissue. L-Arg phantoms were made with different concentrations (25-100 mM) and pH (pH 4-6). The MRF acquisition schedule varied the saturation power randomly for 30 iterations (phantom: 0-6 μT; in vivo: 0-4 μT) with a total acquisition time of ≤2 min. The signal trajectories were pattern-matched to a large dictionary of signal trajectories simulated using the Bloch-McConnell equations for different combinations of exchange rate, exchangeable proton volume fraction, and water T 1 and T 2 relaxation times. The chemical exchange rates of the N α -amine protons of L-Arg were significantly (P exchange using saturation power method. Similarly, the L-Arg concentrations determined using MRF were significantly (P exchange rate was well fit (R 2  = 0.9186) by a base catalyzed exchange model. The amide proton exchange rate measured in rat brain cortex (34.8 ± 11.7 Hz) was in good agreement with that measured previously with the water exchange spectroscopy method (28.6 ± 7.4 Hz). The semi-solid proton volume fraction was elevated in white (12.2 ± 1.7%) compared to gray (8.1 ± 1.1%) matter brain regions in agreement with previous magnetization transfer studies. CEST-MRF provides a method for fast, quantitative CEST imaging. © 2018 International Society for Magnetic Resonance in Medicine.

A durable alternative for proton-exchange membranes: sulfonated poly(benzoxazole thioether sulfone)s

Energy Technology Data Exchange (ETDEWEB)

Zhao, Dan [Center for Innovative Fuel Cell and Battery Technologies, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245 (United States); Lab of PEMFC Key Materials and Technologies, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Liaoning, Dalian 116023 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Li, Jinhuan [Center for Innovative Fuel Cell and Battery Technologies, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245 (United States); College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Song, Min-Kyu; Liu, Meilin [Center for Innovative Fuel Cell and Battery Technologies, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245 (United States); Yi, Baolian; Zhang, Huamin [Lab of PEMFC Key Materials and Technologies, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Liaoning, Dalian 116023 (China)

2011-03-18

To develop a durable proton-exchange membrane (PEM) for fuel-cell applications, a series of sulfonated poly(benzoxazole thioether sulfone)s (SPTESBOs) are designed and synthesized, with anticipated good dimensional stability (via acid-base cross linking), improved oxidative stability against free radicals (via incorporation of thioether groups), and enhanced inherent stability (via elimination of unstable end groups) of the backbone. The structures and the degree of sulfonation of the copolymers are characterized using Fourier-transform infrared spectroscopy, and nuclear magnetic resonance spectroscopy ({sup 1}H NMR and {sup 19}F NMR). The electrochemical stabilities of the monomers are examined using cyclic voltammetry in a typical three-electrode cell configuration. The physicochemical properties of the membranes vital to fuel-cell performance are also carefully evaluated under conditions relevant to fuel-cell operation, including chemical and thermal stability, proton conductivity, solubility in different solvents, water uptake, and swelling ratio. The new membranes exhibit low dimensional change at 25 C to 90 C and excellent thermal stability up to 250 C. Upon elimination of unstable end groups, the co-polymers display enhanced chemical resistance and oxidative stability in Fenton's test. Further, the SPTESBO-HFB-60 (HFB-60=hexafluorobenzene, 60 mol% sulfone) membrane displays comparable fuel-cell performance to that of an NRE 212 membrane at 80 C under fully humidified condition, suggesting that the new membranes have the potential to be more durable but less expensive for fuel-cell applications. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Flow field bipolar plates in a proton exchange membrane fuel cell: Analysis & modeling

International Nuclear Information System (INIS)

Kahraman, Huseyin; Orhan, Mehmet F.

2017-01-01

Highlights: • Covers a comprehensive review of available flow field channel configurations. • Examines the main design considerations and limitations for a flow field network. • Explores the common materials and material properties used for flow field plates. • Presents a case study of step-by-step modeling for an optimum flow field design. - Abstract: This study investigates flow fields and flow field plates (bipolar plates) in proton exchange membrane fuel cells. In this regard, the main design considerations and limitations for a flow field network have been examined, along with a comprehensive review of currently available flow field channel configurations. Also, the common materials and material properties used for flow field plates have been explored. Furthermore, a case study of step-by-step modeling for an optimum flow field design has been presented in-details. Finally, a parametric study has been conducted with respect to many design and performance parameters in a flow field plate.

Partially fluorinated electrospun proton exchange membranes

DEFF Research Database (Denmark)

2016-01-01

The present invention relates to a novel porous membrane layer, to a novel method for producing a membrane, and the membranes produced by the novel method. The present invention further relates to a fuel cell comprising the porous layer, as well as any use of the porous layer in a fuel cell or in...... copolymer, and wherein at least one side chain of the graft copolymer comprises a polymerization product of a polymerizable proton donor group or a precursor thereof....

Rice mill wastewater treatment in microbial fuel cells fabricated using proton exchange membrane and earthen pot at different pH.

Science.gov (United States)

Behera, Manaswini; Jana, Partha S; More, Tanaji T; Ghangrekar, M M

2010-10-01

Performance of microbial fuel cells (MFCs), fabricated using an earthen pot (MFC-1) and a proton exchange membrane (MFC-2), was evaluated while treating rice mill wastewater at feed pH of 8.0, 7.0 and 6.0. A third MFC (MFC-3), fabricated using a proton exchange membrane (PEM), was operated as control without pH adjustment of the acidic raw wastewater. Maximum chemical oxygen demand (COD) removal efficiencies of 96.5% and 92.6% were obtained in MFC-1 and MFC-2, respectively, at feed pH of 8.0. MFC-3 showed maximum COD removal of 87%. The lignin removal was 84%, 79%, and 77% and the phenol removal was 81%, 77%, and 76% in MFC-1, MFC-2, and MFC-3, respectively. Maximum sustainable volumetric power was obtained at feed pH of 8.0, and it was 2.3 W/m(3) and 0.53 W/m(3), with 100 ohm external resistance, in MFC-1 and MFC-2, respectively. The power was lower at lower feed pH. MFC-3 generated lowest volumetric power (0.27 W/m(3)) as compared to MFC-1 and MFC-2. More effective treatment of rice mill wastewater and higher energy recovery was demonstrated by earthen pot MFC as compared to MFC incorporated with PEM. 2010 Elsevier B.V. All rights reserved.

A theoretical study of alkane protonation in HF/SbF5 superacid system

Directory of Open Access Journals (Sweden)

Esteves Pierre M.

2000-01-01

Full Text Available Ab initio calculations for the protonation of the C-H and C-C bonds of methane, ethane, propane and isobutane by a superacid moiety was carried out. For the C-H protonation (H/H exchange the transition state resembles an H-carbonium ion coordinated with the superacid. The activation energy for the H/H exchange was about 16 kcal.mol-1, at B3LYP/6-31++G** + RECP (Sb level, regardless the type of C-H bond being protonated. For the C-C protonation the activation energy depends on the structure of the hydrocarbon and was always higher than the activation energy for C-H protonation, indicating a higher steric demand.

Performance of Platinum Nanoparticles / Multiwalled Carbon Nanotubes / Bacterial Cellulose Composite as Anode Catalyst for Proton Exchange Membrane Fuel Cells

Directory of Open Access Journals (Sweden)

Henry Fonda Aritonang

2017-05-01

Full Text Available Highly dispersed platinum (Pt nanoparticles / multiwalled carbon nanotubes (MWCNTs on bacterial cellulose (BC as anode catalysts for proton exchange membrane fuel cells (PEMFC were prepared with various precursors and their electro-catalytic activities towards hydrogen oxidation at 70 oC under non-humidified conditions. The composite was prepared by deposition of Pt nanoparticles and MWCNTs on BC gel by impregnation method using a water solution of metal precursors and MWCNTs followed by reducing reaction using a hydrogen gas. The composite was characterized by using TEM (transmission electron microscopy, EDS (energy dispersive spectroscopy, and XRD (X-ray diffractometry techniques. TEM images and XRD patterns both lead to the observation of spherical metallic Pt nanoparticles with mean diameter of 3-11 nm well impregnated into the BC fibrils. Preliminary tests on a single cell indicate that renewable BC is a good prospect to be explored as a membrane in fuel cell field. Copyright © 2017 BCREC Group. All rights reserved Received: 21st November 2016; Revised: 26th February 2017; Accepted: 27th February 2017 How to Cite: Aritonang, H.F., Kamu, V.S., Ciptati, C., Onggo, D., Radiman, C.L. (2017. Performance of Platinum Nanoparticles / Multiwalled Carbon Nanotubes / Bacterial Cellulose Composite as Anode Catalyst for Proton Exchange Membrane Fuel Cells. Bulletin of Chemical Reaction Engineering & Catalysis, 12 (2: 287-292 (doi:10.9767/bcrec.12.2.803.287-292 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.12.2.803.287-292

Influence of the flux density on the radiation damage of bipolar silicon transistors by protons and electrons

International Nuclear Information System (INIS)

Bannikov, Y.; Gorin, B.; Kozhevnikov, V.; Mikhnovich, V.; Gusev, L.

1981-01-01

It was found experimentally that the radiation damage of bipolar n-p-n transistors increased by a factor of 8--12 when the proton flux density was reduced from 4.07 x 10 10 to 2.5 x 10 7 cm -2 sec -1 . In the case of p-n-p transistors the effect was opposite: there was a reduction in the radiation damage by a factor of 2--3 when the dose rate was lowered between the same limits. A similar effect was observed for electrons but at dose rates three orders of magnitude greater. The results were attributed to the dependences of the radiation defect-forming reactions on the charge state of defects which was influenced by the formation of disordered regions in the case of proton irradiation

Modelling of proton and metal exchange in the alginate biopolymer.

Science.gov (United States)

De Stefano, Concetta; Gianguzza, Antonio; Piazzese, Daniela; Sammartano, Silvio

2005-10-01

Acid-base behaviour of a commercial sodium alginate extracted from brown seaweed (Macrocystis pyrifera) has been investigated at different ionic strengths (0.1titration calorimetric data were expressed as a function of the dissociation degree (alpha) using different models (Henderson-Hasselbalch modified, Högfeldt three parameters and linear equations). The dependence on ionic strength of the protonation constants was taken into account by a modified specific interaction theory model. Differences among different media were explained in terms of the interaction between polyanion and metal cations of the supporting electrolytes. Quantitative information on the proton-binding capacity, together with the stabilities of different species formed, is reported. Protonation thermodynamic parameters, at alpha=0.5, are log K H=3.686+/-0.005, DeltaG 0=-21.04+/-0.03 kJ mol(-1), DeltaH 0=4.8+/-0.2 kJ mol(-1) and TDeltaS 0=35.7+/-0.3 kJ mol(-1), at infinite dilution. Protonation enthalpies indicate that the main contribution to proton binding arises from the entropy term. A strict correlation between DeltaG and TDeltaS was found, TDeltaS=-9.5-1.73 DeltaG. Results are reported in light of building up a chemical complexation model of general validity to explain the binding ability of naturally occurring polycarboxylate polymers and biopolymers. Speciation profiles of alginate in the presence of sodium and magnesium ions, naturally occurring cations in natural waters, are also reported.

Exergoeconomic analysis of vehicular PEM (proton exchange membrane) fuel cell systems with and without expander

International Nuclear Information System (INIS)

Sayadi, Saeed; Tsatsaronis, George; Duelk, Christian

2014-01-01

In this paper we perform an exergoeconomic analysis to a PEM (proton exchange membrane) vehicular fuel cell system used in the latest generation of environmentally friendly cars. Two alternative configurations of a fuel cell system are considered (with and without an expander), and two alternative design concepts for each configuration: BoL (Begin of Life) and EoL (End of Life). The system including an expander generates additional power from the exhaust gases leaving the fuel cell stack, which might increase the system efficiency. However the total investment costs for this case are higher than for the other system configuration without an expander, due to the investment costs associated with the expander and its accessories. The fuel cell stack area in the EoL-sized systems is larger than in the BoL-sized systems. A larger stack area on one hand raises the investment costs, but on the other hand decreases the fuel consumption due to a higher cell efficiency. In this paper, exergoeconomic analyses have been implemented to consider a trade-off between positive and negative effects of using an expander in the system and to select the proper design concept. The results from the exergoeconomic analysis show that (a) an EoL-sized system with an expander is the most cost effective system, (b) the compression and humidification of air are very expensive processes, (c) the stack is by far the most important component from the economic viewpoint, and (d) the thermodynamic efficiency of almost all components must be improved to increase the cost effectiveness of the overall system. - Highlights: • Two vehicular PEM (proton exchange membrane) fuel cell system configurations are studied in this paper. • Exergoeconomics has been performed to compare these two system configurations. • The compression and humidification of air are very expensive processes. • The stack is by far the most important component from the economic viewpoint. • The thermodynamic efficiencies

A density functional theory study of the magnetic exchange coupling in dinuclear manganese(II) inverse crown structures.

Science.gov (United States)

Vélez, Ederley; Alberola, Antonio; Polo, Víctor

2009-12-17

The magnetic exchange coupling constants between two Mn(II) centers for a set of five inverse crown structures have been investigated by means of a methodology based on broken-symmetry unrestricted density functional theory. These novel and highly unstable compounds present superexchange interactions between two Mn centers, each one with S = 5/2 through anionic "guests" such as oxygen, benzene, or hydrides or through the cationic ring formed by amide ligands and alkali metals (Na, Li). Magnetic exchange couplings calculated at B3LYP/6-31G(d,p) level yield strong antiferromagnetic couplings for compounds linked via an oxygen atom or hydride and very small antiferromagnetic couplings for those linked via a benzene molecule, deprotonated in either 1,4- or 1,3- positions. Analysis of the magnetic orbitals and spin polarization maps provide an understanding of the exchange mechanism between the Mn centers. The dependence of J with respect to 10 different density functional theory potentials employed and the basis set has been analyzed.

Thermal and water management of low temperature Proton Exchange Membrane Fuel Cell in fork-lift truck power system

DEFF Research Database (Denmark)

Hosseinzadeh, Elham; Rokni, Masoud; Rabbani, Raja Abid

2013-01-01

A general zero-dimensional Proton Exchange Membrane Fuel Cell (PEMFC) model has been developed for forklift truck application. The balance of plant (BOP) comprises of a compressor, an air humidifier, a set of heat exchangers and a recirculation pump. Water and thermal management of the fuel cell...... stack and BOP has been investigated in this study. The results show that humidification of the inlet air is of great importance. By decreasing the relative humidity of inlet air from 95% to 25%, the voltage can drop by 29%. In addition, elevated stack temperature can lead to a higher average cell...... voltage when membrane is fully hydrated otherwise it causes a drastic voltage drop in the stack. Furthermore, by substituting liquid water with water-ethylene glycol mixture of 50%, the mass flow of coolant increases by about 32-33% in the inner loop and 60-65% in the outer loop for all ranges of current...

Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach

Energy Technology Data Exchange (ETDEWEB)

Sirjoosingh, Andrew; Pak, Michael V.; Brorsen, Kurt R.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave., Urbana, Illinois 61801 (United States)

2015-06-07

The nuclear-electronic orbital (NEO) approach treats select nuclei quantum mechanically on the same level as the electrons and includes nonadiabatic effects between the electrons and the quantum nuclei. The practical implementation of this approach is challenging due to the significance of electron-nucleus dynamical correlation. Herein, we present a general extension of the previously developed reduced NEO explicitly correlated Hartree-Fock (RXCHF) approach, in which only select electronic orbitals are explicitly correlated to each quantum nuclear orbital via Gaussian-type geminal functions. Approximations of the electronic exchange between the geminal-coupled electronic orbitals and the other electronic orbitals are also explored. This general approach enables computationally tractable yet accurate calculations on molecular systems with quantum protons. The RXCHF method is applied to the hydrogen cyanide (HCN) and FHF{sup −} systems, where the proton and all electrons are treated quantum mechanically. For the HCN system, only the two electronic orbitals associated with the CH covalent bond are geminal-coupled to the proton orbital. For the FHF{sup −} system, only the four electronic orbitals associated with the two FH covalent bonds are geminal-coupled to the proton orbital. For both systems, the RXCHF method produces qualitatively accurate nuclear densities, in contrast to mean field-based NEO approaches. The development and implementation of the RXCHF method provide the framework to perform calculations on systems such as proton-coupled electron transfer reactions, where electron-proton nonadiabatic effects are important.

Deep inelastic scattering with leading protons or large rapidity gaps at HERA

International Nuclear Information System (INIS)

Chekanov, S.; Derrick, M.; Magill, S.

2008-12-01

The dissociation of virtual photons, γ * p→ Xp, in events with a large rapidity gap between X and the outgoing proton, as well as in events in which the leading proton was directly measured, has been studied with the ZEUS detector at HERA. The data cover photon virtualities Q 2 > 2 GeV 2 and γ * p centre-of-mass energies 40 X > 2 GeV, where M X is the mass of the hadronic final state, X. Leading protons were detected in the ZEUS leading proton spectrometer. The cross section is presented as a function of t, the squared four-momentum transfer at the proton vertex and Φ, the azimuthal angle between the positron scattering plane and the proton scattering plane. It is also shown as a function of Q 2 and x P , the fraction of the proton's momentum carried by the diffractive exchange, as well as β, the Bjorken variable defined with respect to the diffractive exchange. (orig.)

Invariant mass spectroscopy of {sup 19,17}C and {sup 14}B using proton inelastic and charge-exchange reactions

Energy Technology Data Exchange (ETDEWEB)

Satou, Y., E-mail: satou@phya.snu.ac.k [Department of Physics and Astronomy, Seoul National University, Seoul (Korea, Republic of); Nakamura, T. [Department of Physics, Tokyo Institute of Technology, Tokyo (Japan); Fukuda, N. [Institute of Physical and Chemical Research (RIKEN), Saitama (Japan); Sugimoto, T.; Kondo, Y.; Matsui, N.; Hashimoto, Y.; Nakabayashi, T.; Okumura, Y.; Shinohara, M. [Department of Physics, Tokyo Institute of Technology, Tokyo (Japan); Motobayashi, T.; Yanagisawa, Y.; Aoi, N.; Takeuchi, S.; Gomi, T.; Togano, Y. [Institute of Physical and Chemical Research (RIKEN), Saitama (Japan); Kawai, S. [Department of Physics, Rikkyo University, Tokyo (Japan); Sakurai, H. [Institute of Physical and Chemical Research (RIKEN), Saitama (Japan); Ong, H.J.; Onishi, T.K. [Department of Physics, University of Tokyo, Tokyo (Japan)

2010-03-01

The neutron-rich carbon isotopes {sup 19,17}C and the boron isotope {sup 14}B have been investigated, respectively, by the proton inelastic and charge-exchange reactions on a liquid hydrogen target at around 70 MeV/nucleon. The invariant mass method in inverse kinematics was employed to map the energy spectrum above the neutron decay threshold of the residual nuclei. New states on carbon isotopes are reported. An experimental capability of extracting beta-decay strengths via forward angle (p,n) cross sections on unstable nuclei is shown.

A hybrid system using a regenerative electrochemical cycle to harvest waste heat from the proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Long, Rui; Li, Baode; Liu, Zhichun; Liu, Wei

2015-01-01

A new hybrid system consisting of a PEMFC (proton exchange membrane fuel cell) subsystem and a TREC (thermally regenerative electrochemical cycle) subsystem is proposed to convert the waste heat produced by the PEMFC system into electricity. The performance of the hybrid system and its corresponding subsystems is analyzed. Results reveal that there exists optimal current densities of the PEMFC and TREC systems leading to the maximum power output of the hybrid system. With the maximum power output as the objective function, an optimization of the hybrid system based on genetic algorithm method is conducted under different operating temperatures of the PEMFC subsystem. The power output of the hybrid system is 6.85%–20.59% larger than that of the PEMFC subsystem. And the total electrical efficiency is improved by 2.74%–8.27%. The corresponding electrical efficiency of the TREC is 4.56%–13.81%. The hybrid system proposed in this paper could contribute to utilizing the fuel energy more efficiently and sufficiently. - Highlights: • A hybrid power system consisting of a PEMFC and a TREC subsystems is proposed. • Parameters' impacts on performance of the hybrid system have been analyzed. • The maximum power output of the hybrid system is investigated based on genetic algorithm. • Total power output of the hybrid system is 7.63%–18.84% larger than that of the PEMFC subsystem.

Neutron-Proton Scattering Experiments at ANKE-COSY

Science.gov (United States)

Kacharava, A.; Chiladze, D.; Chiladze, B.; Keshelashvili, I.; Lomidze, N.; Macharashvili, G.; McHedlishvili, D.; Nioradze, M.; Rathmann, F.; Ströher, H.; Wilkin, C.

2010-04-01

The nucleon-nucleon interaction (NN) is fundamental for the whole of nuclear physics and hence to the composition of matter as we know it. It has been demonstrated that stored, polarised beams and polarised internal targets are experimental tools of choice to probe spin effects in NN-scattering experiments. While the EDDA experiment has dramatically improved the proton-proton date base, information on spin observables in neutron-proton scattering is very incomplete above 800 MeV, resulting in large uncertainties in isoscalar n p phase shifts. Experiments at COSY, using a polarised deuteron beam or target, can lead to significant improvements in the situation through the study of quasi-free reactions on the neutron in the deuteron. Such a measurements has already been started at ANKE by using polarised deuterons on an unpolarised target to study the dp → ppn deuteron charge-exchange reaction and the full program with a polarised storage cell target just has been conducted. At low excitation energies of the final pp system, the spin observables are directly related to the spin- dependent parts of the neutron-proton charge-exchange amplitudes. Our measurement of the deuteron-proton spin correlations will allow us to determine the relative phases of these amplitudes in addition to their overall magnitudes.