Bulletin of the American Physical Society
APS March Meeting 2016
Volume 61, Number 2
Monday–Friday, March 14–18, 2016; Baltimore, Maryland
Session X53: Electricity and Hydrogen Production, Storage and DeliveryFocus
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Sponsoring Units: FIAP Chair: Ernesto Marinero, Purdue University Room: Hilton Baltimore Holiday Ballroom 4 |
Friday, March 18, 2016 8:00AM - 8:36AM |
X53.00001: Generation of Electric Energy and Desalinating Water from Solar Energy and the Oceans Hydropower Invited Speaker: Niazi Elfikky Brief.All warnings and fears about the environment in our Earth planet due to the serious effects of the industrial revolution were certainly predicted early. But the eager contest and the powerful desire for more profits beside the human interest for welfare and development closed all minds about the expected severe destuctive impacts on our earth planet. Also, we have to remember that the majority of the African, Asian and Latin American countries are still in the first stage of their development and if they will be left to generate all their demand of energy by the conventional machine e.g (Fossil Fuel, Biofuel and Nuclear Fuel), then our Earth planet will confront an endless and ceasless severe destructive impacts due to the encroach of the released hot Carbon Doxide and hot vapours of Acids which will never forgive any fruitful aspect in our Earth Planet from destruction. 1. Importance of the New Project. Building the Extra cheap, clean Power plants with safe and smooth Operation in addition to the long life time in service for generating enough and plentiful electric energy the sustainable renwable resources will invigorate the foresaking of all Nuclear, Fossil and Biofuel power plants to avoide the nuclear hazards and stop releasing the hot carbon doxide, hot acids for the recovery of our ill environment. Also, the main sustainable, renewable, and cheap resources for generating the bulky capacity of the electric energy in our project are the Sun and the Oceans in addition to all Seas Surrounding all Continents in our Earth planet. Therefore, our recourses are so much enormous plentiful, clean, and renewable. 2. .Generation of Electricity from Solar Energy by Photovoltiac Cells (PVCs) or Concentrated Solar Power (CSP). Characteristics of Photovoltiac Cells (PVCs). It is working only by Sun's Light (Light photons) and its efficiency will decrease as the Solar Thermal Radiation will increase, i.e. as the temerature of the Solar Voltiac will increase, its output will decrease or when the Solar thermal radiation of the Sun will increase, the efficiency of the Solar Voltiac Cells will nearly fully degrade at the ambient temperature 55C?(131Fahrenheit). As known, in the African countries near the Atlantic Ocean like Mauritania, Senegal, South Africa and Guinea ..etc, also the middle east countries like Moroco, Tuniz, Lybia, Algeria, Egypt, Sudan, Saudi Arabia, Kuwait, United Arab Emarates and Iraq…etc. the range of the ambient temerature in the Summer seasons especially in the Desrt near the Atlantic Ocean, the Mediterranean Sea, Red Sea and the Persian Gulf is around (60-70)C? or (140F-158F). Similarly the majority of the Latin American countries with India and China. So, all the environments of the antecedent countries are not the suitable environment for generating electric energy from the Solar Voltiac cells in all seasons along the year. Characteristics of the Concentrated Solar Power (CSP). It uses half cylindrical mirrors to reflect with concentration the Solar thermal Radiation around a pipe to heat a special liquid. When the liquid will be heated it will pass through a water tank to exchange its heat in water tank to evaporate the water and create a steam to drive the Power Turbine for generating electricity. Also the capacity of the electric power generated by such technique is so much limited with respect to the wide area (3000 acres, about five miles end to end) occupied by the Concentrated Solar Power Plant . 3. The New Project Profile. Employing the water from the Oceans, Mediterranean Sea, Red Sea and Chinees sea to generate the bulky Hydraulic power capacity which will be delivered directly to the electric power Grid without any inverters. The Salt water will be drawn for desalination after driving A Steam Power Turbine for generating additional electric power. [Preview Abstract] |
Friday, March 18, 2016 8:36AM - 8:48AM |
X53.00002: Suppressing diborane production during the hydrogen release in metal borohydrides: The example of doped Al(BH$_4$)$_3$ David Harrison, Timo Thonhauser Aluminum borohydride (Al(BH$_4$)$_3$) is an example of a promising hydrogen storage material with exceptional hydrogen densities by weight and volume and a low hydrogen desorption temperature. But, unfortunately its production of diborane (B$_2$H$_6$) gases upon heating restricts its practical use. To elucidate this issue, we investigate the properties of a number of metal borohydrides with the same problem and find that the electronegativity of the metal cation is not the best descriptor of diborane production. We show that, instead, the closely related formation enthalpy is a much better descriptor and we find that diborane production is an exponential function thereof. We conclude that diborane production is sufficiently suppressed for formation enthalpies of $-$80 kJ/mol BH$_4$ or lower, providing specific design guidelines to tune existing metal borohydrides or synthesize new ones. We then use first-principles methods to study the stabilizing effects of Sc alloying in Al(BH$_4$)$_3$, predicting that with sufficient alloying diborane can be fully suppressed. We conclude that stabilizing Al(BH$_4$)$_3$ and similar borohydrides via alloying or other means is a promising route to suppress diborane production and thus develop viable hydrogen storage materials. [Preview Abstract] |
Friday, March 18, 2016 8:48AM - 9:00AM |
X53.00003: Improving ammonia borane as a hydrogen storage material with B-group substitutions E. Welchman, T. Thonhauser We present \emph{ab initio} results for substitutions intended to lower the hydrogen desorption temperature of NH$_3$BH$_3$ (ammonia borane or AB), already a promising hydrogen storage material. Substitutions in the NH$_3$ group have previously been investigated with success; we propose a different route, instead performing substitutions in the BH$_3$ group. To keep gravimetric density high, we focus on the second period elements C, N, O, and F, all with higher electronegativities than H. We also investigate Cu and S as possible substituents. Results include hydrogen binding energies and kinetic barriers for the hydrogen release in the gas phase as well as the solid. Of the substituents studied, we identify Cu as the most promising substituent, which lowers the reaction barrier for the hydrogen release by 38\%\ compared to pure AB and we estimate a new hydrogen desorption temperature between $-10$~$^\circ$C and 40~$^\circ$C. [Preview Abstract] |
Friday, March 18, 2016 9:00AM - 9:12AM |
X53.00004: Stability of alkali-metal hydrides: effects of n-type doping Monica Araceli Olea Amezcua, Omar De la Pe\~na Seaman, Juan Francisco Rivas Silva, Rolf Heid, Klaus-Peter Bohnen Metal hydrides could be considered ideal solid-state hydrogen storage systems, they have light weight and high hydrogen volumetric densities, but the hydrogen desorption process requires excessively high temperatures due to their high stability. Efforts have been performed to improve their dehydrogenation properties, based on the introduction of defects, impurities and doping. We present a systematic study of the n-type (electronic) doping effects on the stability of two alkali-metal hydrides: Na$_{1-x}$Mg$_{x}$H and Li$_{1-x}$Be$_{x}$H. These systems have been studied within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method and the self-consistent version of the virtual crystal approximation to model the doping. The full-phonon dispersions are analyzed for several doping content, paying special attention to the crystal stability. It is found a doping content threshold for each system, where they are close to dynamical instabilities, which are related to charge redistribution in interstitial zones. Applying the quasiharmonic approximation, the vibrational free energy, the linear thermal expansion and heat capacities are obtained for both hydrides systems and are analyzed as a function of the doping content. [Preview Abstract] |
Friday, March 18, 2016 9:12AM - 9:24AM |
X53.00005: Transition metal dichalcogenides as a catalyst for hydrogen-evolution reaction Jun-Ho Lee, Young-Woo Son, Jinbong Seok, Heejun Yang Hydrogen evolution using electrochemical reaction of water with specific catalysts has been considered as next-generation energy resources. The best-well known and most productive electrochemical catalyst is platinum. However, there has been a continuous struggle to replace the precious Pt-based catalysts by inexpensive and earth-abundant materials such as transition metal dichalcogenides (TMDs). We investigated catalytic performances of various TMDs for hydrogen-evolution reaction (HER) by using first-principles density functional theory calculation. We calculate Gibbs free energy, most widely used descriptor of catalytic activity, of hydrogen atom on TMDs and analyze an origin of significant performance of HER. [Preview Abstract] |
Friday, March 18, 2016 9:24AM - 9:36AM |
X53.00006: Computational study on the hydrogen storage in 2-dimentional potential well using K-intercalated graphite oxide Jaehyun Bae, Jisoon Ihm Here, we present a new hydrogen storage strategy based on a diffusive equilibrium of gas molecules under the external potential we show that density of a gas inside the potential well increases exponentially relative to the ambient gas by the corresponding Boltzmann factor. In this mechanism, hydrogen molecules reside in the delocalized gas form in the potential well, in contrast to the conventional storage localized to specific binding sites. As a realization of the potential well, we choose K-intercalated graphite oxide (KGO) as a scaffold material and show that a relatively uniform potential well arises in between KGO layers. The average potential well depth is much enhanced due to the induced dipole interaction by the electric field generated by K ions and functional groups. The grand canonical Monte-Carlo calculation is employed to obtain the equilibrium hydrogen molecule density in the room temperature and the simulation results are explained by the density enhancement due to the attractive potential inside the KGO layers. [Preview Abstract] |
Friday, March 18, 2016 9:36AM - 9:48AM |
X53.00007: ABSTRACT WITHDRAWN |
Friday, March 18, 2016 9:48AM - 10:00AM |
X53.00008: Hydrogen production by thermal water splitting using ferroelectric PbTiO$_{3}$ Arvin Kakekhani, Sohrab Ismail-Beigi The increasing demand for renewable energy sources is a prominent challenge facing humanity in 21st century. In this regard, hydrogen production by splitting water has received great attention. Here, we theoretically propose a catalytic cycle that by leveraging the pyroelectric properties of ferroelectric PbTiO$_{3}$, and using a controlled temperature modulation around Curie temperature as a switch for surface chemical properties, can thermally split H$_{2}$O into O$_{2}$ and H$_{2}$. Since the Curie temperature of PbZr$_{x}$Ti$_{1-x}$O$_{3}$ class of materials is tunable and usually in the range of 250-450 degree Celsius; the energy needed to drive this catalytic cycle can be provided by low/intermediate grade heat, for instance: geothermal, industrial waste heat or concentrated solar power. Since no precious metal is needed in this scheme, and all the elements are earth abundant, this can potentially become an economically viable method for hydrogen production. [Preview Abstract] |
Friday, March 18, 2016 10:00AM - 10:12AM |
X53.00009: Engineering and characterization of high surface area graphitic carbon nitrides for hydrogen sorption David Stalla, Florian Seydel, Andrew Gillespie, Thomas Lam, Mark Sweany, Mark Lee, Peter Pfeifer Theoretical calculations predict graphitic carbon nitride to produce a binding energy to hydrogen (6.4 kJ/mol) which is greater than that of pure graphene, making it attractive as a storage medium. However, the prohibitively small surface areas characteristic of g-CN materials dramatically limit H2 uptake. We discuss efforts to increase surface areas through physical/chemical exfoliation and templating. N2 sorption directly determines improvements to surface area, EF/TEM maps the thickness of aggregated planes, powder XRD indicates a novel, 2-phase structure, and XPS quantifies in-plane chemistry largely independent of the literature, which fails in a consensus regarding binding energy assignments. [Preview Abstract] |
Friday, March 18, 2016 10:12AM - 10:24AM |
X53.00010: Hydrogen Storage Studies of Palladium-Cobalt alloy nanoparticles dispersed Nitrogen Doped Graphene Ashok pullamsetty, Ramaprabhu Sundara Solid state hydrogen storage has significant importance in the present scenario of depleting conventional energy sources. Recent studies reveal that nanomaterials can play a significant role in the performance enhancement of energy conversion and storage device. Carbon based nanomaterials are considered as suitable candidates for hydrogen storage due to their high porosity, large surface area and high chemical stability. The two dimensional graphene, which has been discovered recently, consists of a single layer of atoms arranged in a honeycomb lattice, exhibits surface area. In the present work, we have been studied the hydrogen storage properties of Palladium-Cobalt alloy nanoparticles dispersed nitrogen doped graphene (Pd$_{\mathrm{3}}$Co/NG). Graphitic oxide was prepared by Hummers method and mixed with Palladium Cobalt and melamine precursors. The compound was reduced in hydrogen atmosphere at 500 $^{\mathrm{^{\circ}}}$C for 5 h. Structural and micro-structural characterization of these samples has been carried out by X-ray diffraction pattern (XRD), Raman spectroscopy, scanning electron microscope (SEM), transmission electron microscopy (TEM) and X-ray photo electro spectroscopy (XPS). The hydrogen adsorption measurements were carried out for NG as well as Pd$_{\mathrm{3}}$Co/NG at different temperatures (25-100 $^{\mathrm{^{\circ}}}$C) and pressures (5-40 bar) using a high pressure Sieverts apparatus. The material Pd$_{\mathrm{3}}$Co/NG exhibits high storage capacity compared to NG due to spillover mechanism and the results have been discussed. [Preview Abstract] |
Friday, March 18, 2016 10:24AM - 10:36AM |
X53.00011: Direct Measurement of the Adsorbed Film Volume for Estimating Heats of Adsorption Andrew Gillespie, Elmar Dohnke, Tyler Rash, David Stalla, Ernest Knight, Florian Seydel, Mark Sweany, Peter Pfeifer Compressed hydrogen and methane require extremely high pressures or low temperatures in order to compete with the energy density of conventional fossil fuels. Adsorbent materials provide a means to increase the energy density of these gasses up to 6 times that of compressed gas at the same temperature and pressure. One major concern in engineering adsorbed gas systems is thermal management during charging and discharging. Adsorption is an exothermic process, releasing heat during charging and absorbing heat during discharging. To estimate the heat of adsorption, it is common to analyze excess adsorption isotherms by converting to absolute adsorption and employ the Clausius Clapeyron relation. However, this method requires an assumed volume of the adsorbed state. It is common for researchers to assume that the adsorbed film occupies the entire pore volume of the adsorbent material. However, the adsorbed film only occupies a fraction of the total pore volume. This yields heats of adsorption that are underestimated by as much as 10kJ/mol at high coverage. In this talk, we present a method to directly measure the adsorbed film volume as a function of temperature and present the resulting heats of adsorption for both methane and hydrogen. [Preview Abstract] |
Friday, March 18, 2016 10:36AM - 10:48AM |
X53.00012: Anticipated detection of favorable periods for wind energy production by means of information theory Eugenio Vogel, Gonzalo Saravia, Sigismund Kobe, Rolf Schumann, Rolf Schuster Managing the electric power produced by different sources requires mixing the different response times they present. Thus, for instance, coal burning presents large time lags until operational conditions are reached while hydroelectric generation can react in a matter of some seconds or few minutes to reach the desired productivity. Wind energy production (WEP) can be instantaneously fed to the network to save fuels with low thermal inertia (gas burning for instance), but this source presents sudden variations within few hours. We report here for the first time a method based on information theory to handle WEP. This method has been successful in detecting dynamical changes in magnetic transitions [J. Mag. Mag. Mater. 372 (2014) 173] and variations of stock markets [Eur. Phys. J. B 87 (2014) 177]. An algorithm called wlzip based on information recognition is used to recognize the information content of a time series. We make use of publically available energy data in Germany to simulate real applications. After a calibration process the system can recognize directly on the WEP data the onset of favorable periods of a desired strength. Optimization can lead to a few hours of anticipation which is enough to control the mixture of WEP with other energy sources, thus saving fuels. [Preview Abstract] |
Friday, March 18, 2016 10:48AM - 11:00AM |
X53.00013: Quasi-Elastic Neutron Scattering (QENS) Studies of Hydrogen Dynamics for Nano-Confined NaAlH4 Tabbetha Dobbins, Shathabish NaraseGowda, Craig Brown, Madhusudan Tyagi, Timothy Jenkins The hydrogen dynamics of nano-confined sodium alanate (NaAlH4) has been studied using quasi-elastic neutron scattering (QENS). Results indicate thermodynamic destabilization is responsible for reduced desorption temperatures of NaAlH4 upon confinement within the nanopores of a metal organic framework (MOF). Both the bulk (microscale) NaAlH4 and the nanoconfined NaAlH4 data were fitted to re-orientation models which yielded corresponding percent mobile hydrogen and jump lengths. The jump lengths calculated from the nano-NaAlH4 were $\approx $2.5 {\AA}, and in conformity with those jump lengths determined for bulk NaAlH4 of $\approx $2.3 {\AA}. As much as 18 {\%} of the hydrogen atoms were estimated to be mobile in the nano-NaAlH4 sample even at relatively low temperatures of 350 K. In contrast, bulk NaAlH4 shows less than 7 {\%} mobile H-atoms even at higher temperatures of $\approx $450 K. The activation energy for the long range is 3.1meV. [Preview Abstract] |
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