Post on 06-Jul-2015
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nanoGUNE 30 enero 2014
La ciencia (la nanociencia) y las tecnologías energéticas del futuro
Félix Yndurain Departamento de Física de la Materia Condensada
Universidad Autónoma de Madrid (e-mail: felix.yndurain@uam.es)
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INDICE
• Introducción: Consumo de energía. El medio ambiente • La investigación Básica en el DOE: 5 “grandes retos” científicos • Necesidades y ejemplos de investigación básica en: Energía nuclear Fotovoltaica Iluminación Hidrógeno Eficiencia Almacenamiento “Nuevos” combustibles fósiles • Conclusiones
IUPAP Energy Report (2003). http://www.iupap.org/
US Department of Energy. http://www.energy.gov/
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CONSUMO DE ENERGEIA
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Consumo mundial de Energía
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Consumo mundial de Energía
Fuente: BP Statistical Review of World Energy June 2013
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Lo arriesgado de hacer predicciones: El pico de Hubbert (1956)
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Reservas probadas de petróleo en 1992, 2002 y 2012
Fuente: BP Statistical Review of World Energy June 2013
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Reservas probadas de gas en 1992, 2002 y 2012
Fuente: BP Statistical Review of World Energy June 2013
nanoGUNE 30 enero 2014
Consumo de energía primaria en algunos países en el año 2012 (Mtoe) Petróleo Gas natural Carbón Nuclear Hidráulica Renovable Per
capita (toe)
PIB(k$) per
capita USA 819,9 722,1 437,8 183,2 86,0 50,7 8,07 43,68
China 483,7 143,8 1873,3 22,0 194,8 31,9 0,78 7,78 Japón 218,2 116,7 124,4 4,1* 18,3 8,2 3,99 33,07 España 63,8 31,4 19,3 13,9 4,6 14,9 3,27 25,47 Alemania 111,5 75,2 79.2 22,5 4,8 26,0 3,99 31,93 Francia 80,9 42,5 11,4 96,3 13,2 5,4 4,36 31,16 Reino Unido 68,5 78,3 39,1 15,9 1,2 8,4 3,69 31,94 Brasil 125,6 29,2 13,5 3,6 94,5 11,2 1,03 8,77
Fuente: BP Statistical Review of World Energy June 2013
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Fuente: http://www.nationmaster.com y United Nations Development Programme y elaboración propia
Consumo de energía por habitante frente producto interior bruto para diversos países
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Consumo de energía por habitante frente a “índice de desarrollo humano”
Fuente: http://www.nationmaster.com y United Nations Development Programme y elaboración propia
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El ejemplo de California Consumo de electricidad y PIB en Estados Unidos y California
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Modern CO2 Concentrations are Increasing The current concentration is the highest in 800,000 years, as determined by ice core data
Concentration prior to 1800 was ~280 ppm
Concentration now ~388 ppm
Atmospheric CO2 at Mauna Loa Observatory
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I. Velicogna, GEOPHYSICAL RESEARCH LETTERS, VOL. 36, L19503, 2009
Increasing rates of ice mass loss from the Greenland and Antarctic ice sheets revealed by GRACE (Gravity Recovery and Climate Experiment) satellite:
In Greenland, the mass loss increased from 137 Gt/yr in 2002–2003 to 286 Gt/yr in 2007–2009
In Antarctica, the mass loss increased from 104 Gt/yr in 2002–2006 to 246 Gt/yr in 2006–2009
Greenland Ice Mass Loss – 2002 to 2009
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Efectos de las actividades humanas en el Medio Ambiente
población emisiones
CO2 DT
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Problemas relacionados con la energía:
Distribución geográfica no uniforme de los
recursos fósiles (finitos)
Deterioro del medio ambiente
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Necesidad de Nuevas Tecnologías
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Máquina de vapor: J. Watt (1769)
Motor eléctrico: W. Siemens (1866)
Plantas de carbón para producir electricidad: H. Stinnes (1898)
Motor de explosión: C. & B. Benz (1888) {H. Ford (1903)}
Pila de combustible: W. R. Grove (1843) Lámpara incandescente: T. Edison (1879)
Batería eléctrica: A. Volta (1798)
Efecto fotovoltaico: Becquerel (1839)
Turbinas para aviación: 1930-40
Nuclear: 1940 aprox.
Molino de viento ?
Las Tecnologías Energéticas no son Nuevas: están en evolución gracias al I+D
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Maduración y Penetración Tecnológica
Investigación en Energía: de la Investigación Básica a la Tecnología
Investigación Aplicada
• Investigación básica para generar conocimiento sobre materiales y sistemas aunque puedan parecer solo marginalmente relacionados con los problemas actuales de las tecnologías energéticas.
• Investigación con el objetivo de cumplir hitos tecnológicos y ensayos con énfasis en el desarrollo , rendimiento, reducción de coste, durabilidad de materiales y componentes y en procesos eficientes
• Investigación de escala • Plantas de
demostración • Reducción de costes • Prototipos • Soporte a la
comercialización
Investigación Básica
Evidentemente no es tan simple…
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La investigación promovida por el
Deparment of Energy (DOE) en
Estados Unidos
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Increase energy efficiency
Increase use of renewables
Adaptation of Carbon Capture and Sequestration
Increase nuclear power
Improve climate prediction
Energy Imperatives (DOE)
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Benefits of BES (Basic Energy Sciences )
“The Department of Energy BES program also plays a major role in enabling the nanoscale revolution. The
importance of nanoscience to future energy technologies is clearly reflected by the fact that all of
the elementary steps of energy conversion (e.g., charge transfer, molecular rearrangement, and
chemical reactions) take place on the nanoscale. The development of new nanoscale materials, as well as
the methods to characterize, manipulate, and assemble them, create an entirely new paradigm for
developing new and revolutionary energy technologies.”
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Status of FY 2014 Appropriations (DOE)
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History of BES Request vs. Appropriation
24
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Office of Science Programs FY 2010 Appropriation
Advanced Scientific Computing Research (ASCR)
Basic Energy Sciences (BES)
Biological and Environmental Research (BER)
Fusion Energy Sciences (FES)
High Energy Physics (HEP)
Nuclear Physics (NP)
Workforce Development for Teachers and Scientists (WDTS)
Science Lab Infrastructure (SLI) ASCR, $394,000K
BES, $1,636,500K
BER, $604,182K
FES, $426,000K
HEP, $810,483K
NP, $535,000K
WDTS, $20,678K
SLI, $127,600K
S&S, $83,000K
SCPD, $189,377K
FY 2010 Funding Total = $4,903,710K
ASCR
BES
BER FES
HEP
NP
BESAC November 5, 2009
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National Synchrotron Light Source
Advanced Photon Source
Stanford Synchrotron Radiation Laboratory
Advanced Light Source
High-Flux Isotope Reactor
Intense Pulsed Neutron Source
Manuel Lujan Jr. Neutron Scattering Center
The Basic Energy Sciences Major Scientific User Facilities
Combustion Research Facility 26 26
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Spallation Neutron Source (SNS) Oak Ridge National Laboratory
27
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Combustion Studies Catalysts Fuel Cells Batteries Solar Energy Utilization etc.
How Synchrotron Radiation (X-rays) can help to Solve Energy Problems
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Ultrafast Imaging of Fuel and Biofuel Sprays Towards More Efficient and Cleaner Combustion Engines
• Use of ultrafast x-ray imaging, to elucidate this complex multiphase fluid dynamics problem at a fundamental level.
• The x-ray images of the sprays have revealed, for the first time, the instantaneous spray structure and dynamics of optically dense sprays with a combined unprecedented spatial and temporal resolution.
• The spray morphology and dynamics will play an important role, well beyond the combustion research, in the emerging fields of microfluidics and nanofluidics.
Fuente: Yujie Wang et al, “Ultrafast X-ray study of dense-liquid-jet flow dynamics using structure-tracking velocimetry,” Nature Phys. 4, 305 (2008). X. Liu, et al., Appl. Phys. Lett. 94, 084101 (2009).
The liquid breakup of a high-density stream from a fuel injector as imaged with ultrafast synchrotron x-ray full-field phase contrast imaging at the APS.
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X-ray studies show:
Dealloyed Cu3Pt nanoparticle catalyst forms core-shell structure with Pt rich shell
The Pt shell is compressively strained & this results in higher catalytic activity
Dynamics of dealloying and stability studied in-situ with X-rays
Cu3Pt catalysts are nearly as stable as pure Pt
PEMFCs Pt catalyst in cathode is
inefficient & expensive.
Dealloyed Cu3Pt nanoparticle catalysts are more active & use less Pt
Pt
Cu
Pt-Cu Catalysts for Polymer Electrolyte Membrane Fuel Cells (PEMFC)
R.Yang et al., J. of Physical Chemistry C, 115, 9074 (2011)
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Underground Storage of Solid CO2
Image courtesy of Lawrence Berkeley National Laboratory
X-ray computer tomography (CT) image showing solid carbonate
(calcite, green) grown in a network of glass beads (blue).
Nanoscale features of natural rock surfaces accelerate the nucleation
and growth of carbonate minerals, the thermodynamically favored form of carbon dioxide (CO2) in geologic formations. This research used
advanced experiments and computational modeling to probe
these nanoscale features and discover how they control the growth and distribution of solid carbonates.
DePaolo Center for Nanoscale Control of Geologic CO2
(NCGC) EFRC Lawrence Berkeley National Laboratory
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Nanoscience and energy technologies
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Center for Nanophase Materials Sciences
(Oak Ridge National Laboratory)
Center for Nanoscale Materials (Argonne National Laboratory)
Molecular Foundry (Lawrence Berkeley National
Laboratory)
Center for Integrated Nanotechnologies (Sandia & Los Alamos National Labs)
Nuevos centros de materiales/nanotecnologia
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Five grand Challenges for Basic Energy Sciences. Department of Energy
1. How do we Control Materials Processes at the Level of Electrons?
2. How do we Design and Perfect Atom- and Energy-Efficient Syntheses of Revolutionary New Forms of Matter with Tailored Properties?
3. How do Remarkable Properties of Matter Emerge from the Complex Correlations of Atomic or Electronic Constituents and How Can We Control These Properties?
4. How can we Master Energy and Information on the Nanoscale to Create New Technologies with Capabilities Rivaling Those of Living Things?
5. How do we Characterize and Control Matter Away—Especially Very Far Away—from Equilibrium?
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• Fuels from Sunlight (Joint Center for Artificial Photosynthesis) • Energy Efficient Building Systems Design • Modeling and Simulation for Nuclear Fuel Cycles and Systems • Batteries and Energy Storage • Critical Materials
DOE Energy Innovation Hubs
Each Hub will comprise a world-class, multi-disciplinary, and highly collaborative research and development team.
Strong scientific leadership must be located at the primary location of the Hub. Each hub must have a clear organization and management plan that “infuses” a culture of empowered central research management throughout the Hub.
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Fundamental research JCESR’s core task is basic research—using a new generation of nanoscience tools that enable us to observe, characterize, and control matter down to the atomic and molecular scales. This enhanced ability to understand materials and chemical processes at a fundamental level will enable us to reinvent electrical storage and achieve major improvements in battery performance at reduced cost. Our industrial partners will help guide our efforts to ensure that research leads toward practical solutions that are competitive in the marketplace.
Energy Innovation Hub: Batteries and Energy Storage (Joint Center for Energy Storage Research: JCESR)
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Scanning electron micrograph of a new solid electrolyte material (lithium thiophosphate)
showing its surface morphology and the nanoscale porosity which are responsible for its high ionic conductivity; Inset shows its crystal
structure.
The Science Introduction of nanoscale porosity in a bulk electrolyte material (lithium thiophosphate)
was found to promote surface conduction of lithium ions, thereby enhancing the ionic
conductivity in the nanostructured material by three orders of magnitude over the normal
bulk phase. The Impact
The high ionic conductivities in these new, nanoporous electrolytes coupled with sulfur-rich, nanostructured cathode materials have led to the development of a new type of solid-state, rechargeable lithium-sulfur battery that
is potentially safer and more reliable than today’s commercial Li ion batteries.
New Materials for High-Energy, Long-Life Rechargeable Batteries Using sulfur-rich, highly ionic compounds as cathodes and electrolytes enables solid-
state lithium-sulfur rechargeable batteries.
Z. Liu, W. Fu, E. Andrew Payzant, X. Yu, Z. Wu, N. J. Dudney, J. Kiggans, K. Hong, A. J. Rondinone, and C. Liang, “Anomalous High Ionic Conductivity of Nanoporous b-Li3PS4”, J.
Am. Chem. Soc., 135, 975, (2013).
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Nano-Composite Designs for Energy Storage
Nano-porous metal oxide coatings on carbon fiber dramatically enhance the electrical storage capacity for supercapacitors.
Researchers have discovered that controlling the
nanostructured architecture of metal oxides coated on carbon fibers can lead to an unusually high capacity to store electrical
charge in a special type of supercapacitor known as a
pseudocapacitor.
Scanning electron microscopy of conductive carbon fibers coated with metal oxide nanowires (left) and close-ups of the cobalt oxide (Co3O4) nanowires (top right) and the nanowire surface
(bottom right). These materials are being developed to improve the storage capacity of a
type of supercapacitor known as a
psuedocapacitor.
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Algunos ejemplos de investigación básica relacionada con la energía
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• Secciones eficaces de neutrones
• Separación de isótopos
• Físico-química de elementos pesados
• Daño por Radiación
Energía Nuclear
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Evolución de conceptos de Reactores
nanoGUNE 30 enero 2014
Nuevos Reactores Nucleares:
• Reprocesan el combustible: reutilizan el Plutonio producido
• Funcionan a temperaturas muy altas: mejor rendimiento termodinámico. Neutrones rápidos, se refrigeran por He.
• Elementos “fértiles”, no fisionables, como el Torio se pueden convertir en fisionable como el U233
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Necesidad de Medir Secciones Eficaces Secciones eficaces de captura (línea sólida) y fisión (línea de puntos) para
el isótopo 238U. Las secciones eficaces están en barn y las energías de los neutrones en eV.
Fuente. Darwin & Charpak en “Megawatts and Megatons”
Fisión
Captura
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Secciones eficaces de captura (línea sólida) y fisión (línea de puntos) para el isótopo 235U. Las secciones eficaces están en barn y las energías de los
neutrones en eV.
Fuente: Darwin & Charpak en “Megawatts and Megatons”
Fisión
Captura
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REPROCESADO DEL COMBUSTIBLE IRRADIADO El proceso PUREX actual
(separación de U y Pu)
• Disolución del UO2 en ácido nítrico • Separación del U+Pu con TBP ( tri-butil-fosfato) • Separación del U por reducción del Pu • Transformación del U y del Pu en óxidos para nuevo uso • Almacenamiento del resto de los residuos ( incluyen los productos de fisión y los actínidos menores ( Am Np y Cm)
Probablemente el mayor cuello de botella para el desarrollo de los nuevos reactores nucleares
Necesidad de Nuevos métodos de Separación
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Daño por Radiación
Esencial para:
• Almacenamiento del Combustible Nuclear
• Protección Radiológica
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Quantification of actinide a-radiation damage in minerals and ceramics Nature 445, 190-193 (2007)
Ian Farnan, Herman Cho & William J. Weber
There are large amounts of heavy a-emitters in nuclear waste and nuclear materials inventories stored in various sites around the world. These include plutonium and minor actinides such as americium and curium. In preparation for geological disposal there is consensus that actinides that have been separated from spent nuclear fuel should be immobilized within mineral-based ceramics rather than glass because of their superior aqueous durability and lower risk of accidental criticality. However, in the long term, the a-decay taking place in these ceramics will severely disrupt their crystalline structure and reduce their durability. A fundamental property in predicting cumulative radiation damage is the number of atoms permanently displaced per a-decay. At present, this number is estimated to be 1,000–2,000 atoms/ in zircon. Here we report nuclear magnetic resonance, spin-counting experiments that measure close to 5,000 atoms/ in radiation-damaged natural zircons. New radiological nuclear magnetic resonance measurements on highly radioactive, 239Pu zircon show damage similar to that caused by 238U and 232Th in mineral zircons at the same dose.
“On the basis of these measurements, the initially crystalline structure of a 10 weight per cent 239Pu zircon would be amorphous after only 1,400 years in a geological repository (desired immobilization timescales are of the order of 250,000 years)”. These measurements establish a basis for assessing the long-term structural durability of actinide-containing ceramics in terms of an atomistic understanding of the fundamental damage event.
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Radiation Damage
α-decay process
Recoil ~ 100 keV
α-particle
~ 5 MeV
It causes: • Amorphisation • Swelling • Cracks • Leaching
Zircon: model study: old natural samples
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zircon
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• Supercell of insulator’s bulk • Periodic boundary conditions • Density functional theory • Add external charge (potential)
• Move it and follow electron wave-functions with Time-Dependent DFT
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Stopping power vs velocity
Threshold effect yes,
but still too low values
Proton/antiproton right
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Potential impact on ANES
Summary of research direction Scientific challenges
• Overcome limitations in current experimental/theoretical approaches to determining/describing actinide material properties
• Fundamental understanding of thermal properties of complex microstructure/composition materials
• New approach to modeling phase stability/compatibility in complex, multicomponent actinide systems
• Develop new quantum chemical/molecular dynamic approaches that can accommodate the additional complexity of 5f elements
• Utilize/develop non-conventional experimental techniques to measure and model thermal properties of complex behavior actinide materials
• Develop innovative defect models for multi-component actinide fuel/fission product systems
• Scientific basis for nuclear fuel design • Optimizing fuel development and testing • Reducing uncertainty in operational/safety margins
Mystery of 5f-electron elements New paradigm for 5f-electron research
Beyond cook and look
Advanced actinide fuels: Develop a fundamental understanding of actinide-bearing materials properties
Fuente: DOE. Advanced Nuclear Energy Systems
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The Development of New Density Functional Theory and Computational Approaches for Strongly Correlated f-Electron Ststems and Actinide Materials
Investigating the Nature of Extreme Condition Actinide Chemistry
Actinide Chemistry in Oxidative Alkaline Solutions: Synergistic Molecular Chemistry for Advanced SNF Reprocessing
A First-principles Theory of the Energetics and Materials Properties of Actinides: The 5f-electron Challenge
Actinide Binding to Dendritic Nanoscale Ligands: Fundamental Investigations and Applications to Nuclear Separations
Probing f-electron interactions in actinide metal-ligand and metal-metal bonding
f-Electron Physics in α-Uranium, New Tools for an Historic Challenge
Materials for highly specific extraction of Cs and Sr from aqueous nuclear waste solutions
Modeling Spectroscopy and Photochemistry of Actinide Systems in Solution An Experimental and Computational Study of Actinide and Fission Product Separation and Sequestration by Engineered Mesoporous Materials The link between actinide chemistry and core-level spectroscopies
An Ab Initio Full Potential Fully Relativistic Electronic Structure Study of Actinide Nitrides as Nuclear Fuels
Algunos Proyectos financiados por el DOE
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Energía Fotovoltaica
Shockley-Queisser límite para la eficiencia para el Si: 32%
Gap 1.1 eV, gap inidrecto, perdidas por calor etc.
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Conversion Efficiencies vs. time (NREL)
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Mercado de células fotovoltaicas
Fuente: P. Frankl, NEEDS, 2007
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Células fotoeléctricas tandem
Usadas en el Espacio
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Otra manera de aumentar la eficiencia: Introducción de una banda intermedia:
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Nuevas ideas para células Fotovoltaicas
Basadas en colorantes y nanoparticulas
Basadas en “pozos cuánticos”
… y moléculas orgánicas
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HIDRÓGENO COMO VECTOR ENERGÉTICO
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There exists an enormous gap between present state-of-the-art capabilities and requirements that will allow hydrogen to be competitive with today’s energy technologies:
Production: 9M tons to 40M tons (vehicles) Storage: 4.4 MJ/L (10K psi gas) to 9.72 MJ/L Fuel cells: $3,000/kW to $35/kW (gasoline engine)
Major R&D efforts will be required: Simple improvements of today’s technologies will
not meet requirements Technical barriers can be overcome only with high
risk/high payoff basic research
Research is highly interdisciplinary, requiring chemistry, materials science, physics, biology, engineering, nanoscience, computational science.
Basic and applied research should couple seamlessly.
DOE Basic Research Needs for the Hydrogen Economy
Workshop: May 13-15, 2003 Report: Summer 2003
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How to produce H2? (The Joint Center for Artificial Photosynthesis: JCAP)
“Net primary energy balance of a solar-driven photoelectrochemical water-splitting device”
Pei Zhai et al. Energy Environ. Sci., 2013,6, 2380-2389
“A fundamental requirement for a renewable energy generation technology is that it should produce more energy during its lifetime than is required to manufacture it. In this study we evaluate the primary energy requirements of a prospective renewable energy technology, solar-driven photoelectrochemical (PEC) production of hydrogen from water. Using a life cycle assessment (LCA) methodology, we evaluate the primary energy requirements for upstream raw material preparation and fabrication under a range of assumptions of processes and materials. As the technology is at a very early stage of research and development, the analysis has considerable uncertainties”.
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How to produce H2? (The Joint Center for Artificial Photosynthesis: JCAP)
Molecular and Nanoscale Interfaces Project Research in the Molecular and Nanoscale Interfaces Project is directed towards the development of strategies and tools for linking individual components into fully functioning, nanoscale artificial photosynthetic assemblies. A major obstacle towards the development of a viable artificial photosynthetic systems for water splitting to hydrogen and oxygen, or the conversion of carbon dioxide and water to liquid fuel, involves the inefficient charge transport between light absorbers and catalysts and, in particular, between the sites of water oxidation and fuel-generating half-reactions. To address these challenges, the Molecular and Nanoscale Interfaces Project aims to couple light absorbers, catalysts, and half-reactions for optimal control of the rate, yield, and energetics of electron and proton flow at the nanoscale, so that complete macroscale artificial photosynthetic systems can achieve maximum conversion of solar photon energy into the chemical energy of a fuel.
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Hydrogen storage at metal-organic materials
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Hydrogen storage at metal-organic materials
Only H2 2% uptake: not enough to be usefull!
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Eficiencia energética
Ejemplos de nuevas tecnologías:
• Diodos de Estado Sólido para la iluminación
• Superconductividad
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Eficiencia Energética: La iluminación basada en diodos de Estado Sólido es potencialmente 10 y 2 veces más eficiente que las lámparas incandescentes y fluorescentes, respectivamente.
La Iluminación convencional es muy ineficiente
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El Problema es conseguir luz blanca
Tuning the color of
semiconducting nanocrystal
quantum dots
Fuente: C.B. Murray et al., J. Am. Chem. Soc. 115, 8706 (1993)
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Conclusiones del estudio del Deparment of Energy (DOE)
• Aumentar la eficiencia en un factor 10
• Las tecnologías antiguas tienen limites esenciales
• La extrapolación de las tecnologías actuales no cubrirán los objetivos
• Se necesitan “breakthroughs” para aumentar significativamente las eficiencias
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Zero resistance Below Tc (-270 ºC) the
resistance drops (rapidly) to zero.
Flux expulsion Below Tc magnetic flux is
expelled from the sample. This give rise to phenomenon of magnetic
levitation.
Use of Superconducting Materials
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La red eléctrica está bajo estrés, cerca de la saturación
Capacidad en Estados Unidos Crecimiento del 50% para el año 2030
Red urbana: cuello de botella
Fiabilidad “Blackouts”
Eficiencia El 7-10% se pierde en el transporte.
En Estados Unidos, equivalente a 40 centrales de 1GW
Lower Manhattan infrastructure (Courtesy of Con Edison)
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Los Superconductores podrían transformar la red de distribución
Japanese Maglev flies with HTS coils, (courtesy CJR)
Albany N.Y.
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Control of Grain Boundary Currents by Texturing - Key to Second Generation (2G) YBCO Wire
Dimos, Chaudhari + Mannhart, PR 1990
AMSC 2G wire architecture: RABiTSTM process
Texturing within ~50 enables Jc(77 K) ~ 3x106 A/cm2 over 100’s of meters – An amazing success, though it has taken 18 years to get to this point!
Grain boundary critical current vs misorientation angle
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Science Opportunity: Vortex Physics
Pinning vortices – basis for high critical current density.
Much effort on existing materials (e. g. YBCO) during last years.
But much still to do to increase Ic Understanding magnetic pinning.
Vortex: nanoscale quantum
of magnetic flux
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No se conoce el mecanismo responsable de los nuevos superconductores!
Enorme tarea por delante
Nuevos materiales basados en diseño a escala atómica
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“Nuevos” hidrocarburos
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Los hidrocarburos no se acaban, Ejemplo: Clatratos de Metano
Muy abundantes en el fondo del mar
Moléculas de agua Metano
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Like “burning ice”
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They are very abundant in Earth's permafrost and marine sediments. They are also formed in natural gas extraction pipes and have been detected in other planetary bodies like Mars and some Saturn's moons
• They can be a future hydrocarbons source
• They are a serious environmental threat due to the potential melting caused by the temperature increase associated to the global warming and the further uncontrolled release of their hydrocarbons
• Potential use to store hydrogen and sequestration of CO2
Natural Gas Hydrates
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NATURE 426,353 (2003)
Fundamental principles and applications of natural gas hydrates E. Dendy Sloan Jr.
Center for Hydrate Research, Colorado School of Mines, Golden, Colorado
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Enormes reservas
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Preguntas:
Cómo se forman?
Cuantos hidrocarburos caben?
Son estables sin el hidrocarburo?
Se puede sustituir el Metano por CO2?
Sirven para almacenar H2?
Diagrama de fases P-T?
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Reproducen la estructura de los clatratos y predicen cuantas moléculas de metano y CO2 se pueden alojar en las cavidades (no más de 2 por cavidad).
La sustitución de metano por CO2 es dudosa
No sabemos como se forman. No son estables sin metano
Cálculos de Primeros Principios
Difusión molecular
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Nanoscience and energy technologies
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Conclusiones:
Como para toda tecnología, la investigación básica es indispensable para el desarrollo de la tecnología energética
La investigación básica sirve para generar conocimiento sobre materiales y sistemas aunque puedan parecer solo
marginalmente relacionados con los problemas actuales de las tecnologías energéticas
La investigación básica servirá al desarrollo tecnológico si se aprovecha en un entorno adecuado
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MUCHAS GRACIAS!
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nanoGUNE 30 enero 2014
Phase Diagram
nanoGUNE 30 enero 2014
Reliability: Superconductors Enable “Resistive” Fault Current Limiters
• Superconductors -“smart” materials, switch to resistive state above critical current
• Increased resistance limits current flow • Many FCLs demonstrated;
commercialization beginning
Siemens/AMSC 2 MVA FCL
Need a solution, or must drastically reconfigure and break up the grid Fault current limiters a major opportunity for grid stabilization
w/o FCL w/FCL
nanoGUNE 30 enero 2014
Funcionamiento de un Light Emitting Diode
nanoGUNE 30 enero 2014
Iluminación basada en Dispositivos de Estado Sólido
Hitos Tecnológicos:
Hacia 2025, desarrollar tecnologías avanzadas de iluminación de Estado Sólido con sistemas de un 50% de eficiencia con emisión muy cercana a la luz solar
Materiales y componentes para diodos emisores de luz con componentes inorgánicas y orgánicas con eficiencia mejorada y bajo coste
Fabricación de bajo coste
Cuestión de la degradación y fiabilidad de los productos
Entender y controlar la ruta radiativa y no radiativa en semiconductores
Nuevas funcionalidades por medio de nanoestructuras heterogéneas
Manejo innovador de fotones
Interacción luz-materia mejorada
Caracterización, síntesis y ensamblado a escala nanométrica
Diseño computacional y síntesis de materiales emisores de luz no convencionales con propiedades diseñadas
Manejar y explotar el desorden en dispositivos orgánicos emisores de luz
Entender el origen de la degradación en dispositivos orgánicos emisores de luz
Descubrir nuevos conceptos para el control de las características de la luz emitida
Integración de materiales nanoestructurados en dispositivos emisores de luz
Desarrollo de standards para productos nuevos
Aspectos comerciales
Asociaciones industriales
Aspectos legales, de mercado, salud, seguridad…
Reducción de costes
Prototipos
Madurez Tecnológica y Diseminación Investigación Aplicada Investigación Básica Investigación Básica Orientada
Fuente: DOE
nanoGUNE 30 enero 2014
DOE Energy Innovation Hubs (like the former Bell Labs.)
Proposed topics for Hubs:
• Solar Electricity (EERE) • Fuels from Sunlight (SC) • Batteries and Energy Storage (SC) • Carbon Capture and Storage (FE) • Electrical Grid Systems (OE) • Energy Efficient Building Systems Design (EERE) • Extreme Materials for Nuclear Fuel Cycles and Systems (NE) • Modeling and Simulation for Nuclear Fuel Cycles and Systems (NE)
Each Hub will comprise a world-class, multi-disciplinary and highly collaborative research and development team working largely under one roof. This team will focus on solving critical technology challenges that prevent large scale commercialization and deployment of the energy systems needed to address our Nation’s greenhouse gas emission, energy security and workforce creation goals
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Molecular Dynamics based on force fields
• One simulates the propagation of an energetic particle in a system of atoms interacting via a model potential, by integrating the Newton equations of motion.
• The energetic particle displaces atoms from their equilibrium positions, which, in turn, displace other atoms, resulting in a “radiation cascade”.
• At each moment of time, the simulation provides coordinates and velocities of all atoms in the structure, giving the full phase trajectory of damage propagation.
• At the end of the simulation, the resulting structure contains structural changes due to radiation damage, which can be analyzed in detail.
• DL_POLY 3 MD package. Several Millions of Atoms.
nanoGUNE 30 enero 2014
“Sumar” y “Partir” fotones
nanoGUNE 30 enero 2014
Otra vez los electrones f