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Energy Efficiency Improvement and Cost Saving Opportunities for the Fruit and Vegetable Processing Industry. An ENERGY STAR Guide for Energy and Plant Managers (open access)

Energy Efficiency Improvement and Cost Saving Opportunities for the Fruit and Vegetable Processing Industry. An ENERGY STAR Guide for Energy and Plant Managers

The U.S. fruit and vegetable processing industry--defined in this Energy Guide as facilities engaged in the canning, freezing, and drying or dehydrating of fruits and vegetables--consumes over $800 million worth of purchased fuels and electricity per year. Energy efficiency improvement isan important way to reduce these costs and to increase predictable earnings, especially in times of high energy price volatility. There are a variety of opportunities available at individual plants in the U.S. fruit and vegetable processing industry to reduce energy consumption in a cost-effective manner. This Energy Guide discusses energy efficiency practices and energy-efficient technologies that can be implemented at the component, process, facility, and organizational levels. A discussion of the trends, structure, and energy consumption characteristics of the U.S. fruit and vegetable processing industry is provided along with a description of the major process technologies used within the industry. Next, a wide variety of energy efficiency measures applicable to fruit and vegetable processing plants are described. Many measure descriptions include expected savings in energy and energy-related costs, based on case study data from real-world applications in fruit and vegetable processing facilities and related industries worldwide. Typical measure payback periods and references to further information in the technical literature …
Date: January 1, 2008
Creator: Masanet, Eric; Masanet, Eric; Worrell, Ernst; Graus, Wina & Galitsky, Christina
Object Type: Report
System: The UNT Digital Library
Energy Efficiency Improvement and Cost Saving Opportunities for the Vehicle Assembly Industry: An ENERGY STAR Guide for Energy and Plant Managers (open access)

Energy Efficiency Improvement and Cost Saving Opportunities for the Vehicle Assembly Industry: An ENERGY STAR Guide for Energy and Plant Managers

The motor vehicle industry in the U.S. spends about $3.6 billion on energy annually. In this report, we focus on auto assembly plants. In the U.S., over 70 assembly plants currently produce 13 million cars and trucks each year. In assembly plants, energy expenditures is a relatively small cost factor in the total production process. Still, as manufacturers face an increasingly competitive environment, energy efficiency improvements can provide a means to reduce costs without negatively affecting the yield or the quality of the product. In addition, reducing energy costs reduces the unpredictability associated with variable energy prices in today?s marketplace, which could negatively affect predictable earnings, an important element for publicly-traded companies such as those in the motor vehicle industry. In this report, we first present a summary of the motor vehicle assembly process and energy use. This is followed by a discussion of energy efficiency opportunities available for assembly plants. Where available, we provide specific primary energy savings for each energy efficiency measure based on case studies, as well as references to technical literature. If available, we have listed costs and typical payback periods. We include experiences of assembly plants worldwide with energy efficiency measures reviewed in the report. …
Date: January 1, 2008
Creator: Galitsky, Christina; Galitsky, Christina & Worrell, Ernst
Object Type: Report
System: The UNT Digital Library
Energy release and transfer in solar flares: simulations of three-dimensional reconnection (open access)

Energy release and transfer in solar flares: simulations of three-dimensional reconnection

None
Date: January 1, 2008
Creator: Birn, Joachim; Fletcher, L.; Hesse, Michael & Neukirch, T.
Object Type: Article
System: The UNT Digital Library
Energy-Saving Opportunities for Manufacturing Enterprises (Chinese/English) (open access)

Energy-Saving Opportunities for Manufacturing Enterprises (Chinese/English)

Chinese/English overview brochure on Save Energy Now for DOE Industrial Energy Efficiency Partnership with China.
Date: January 1, 2008
Creator: unknown
Object Type: Report
System: The UNT Digital Library
The engineering institute of Los Alamos National Laboratory (open access)

The engineering institute of Los Alamos National Laboratory

Los Alamos National Laboratory (LANL) and the University of California, San Diego (UCSD) have taken the unprecedented step of creating a collaborative, multi-disciplinary graduate education program and associated research agenda called the Engineering Institute. The mission of the Engineering Institute is to develop a comprehensive approach for conducting LANL mission-driven, multidisciplinary engineering research and to improve recruiting, revitalization, and retention of the current and future staff necessary to support the LANL' s national security responsibilities. The components of the Engineering Institute are (1) a joint LANL/UCSD degree program, (2) joint LANL/UCSD research projects, (3) the Los Alamos Dynamic Summer School, (4) an annual workshop, and (5) industry short courses. This program is a possible model for future industry/government interactions with university partners.
Date: January 1, 2008
Creator: Farrar, Charles R; Park, Gyuhae; Cornwell, Phillip J & Todd, Michael D
Object Type: Article
System: The UNT Digital Library
Ensemble phase averaging equations for multiphase flows in porous media, part I: the bundle-of-tubes model (open access)

Ensemble phase averaging equations for multiphase flows in porous media, part I: the bundle-of-tubes model

A bundle-of-tubes construct is used as a model system to study ensemble averaged equations for multiphase flow in a porous material. Momentum equations for the fluid phases obtained from the method are similar to Darcy's law, but with additional terms. We study properties of the additional terms, and the conditions under which the averaged equations can be approximated by the diffusion model or the extended Darcy's law as often used in models for multiphase flows in porous media. Although the bundle-of-tubes model is perhaps the simplest model for a porous material, the ensemble averaged equation technique developed in this paper assumes the very same form in more general treatments described in Part 2 of the present work (Zhang 2009). Any model equation system intended for the more general cases must be understood and tested first using simple models. The concept of ensemble phase averaging is dissected here in physical terms, without involved mathematics through its application to the idealized bundle-of-tubes model for multiphase flow in porous media.
Date: January 1, 2008
Creator: Yang, Dali; Zhang, Duan & Currier, Robert
Object Type: Article
System: The UNT Digital Library
Estimating Demand Response Load Impacts: Evaluation of BaselineLoad Models for Non-Residential Buildings in California (open access)

Estimating Demand Response Load Impacts: Evaluation of BaselineLoad Models for Non-Residential Buildings in California

Both Federal and California state policymakers areincreasingly interested in developing more standardized and consistentapproaches to estimate and verify the load impacts of demand responseprograms and dynamic pricing tariffs. This study describes a statisticalanalysis of the performance of different models used to calculate thebaseline electric load for commercial buildings participating in ademand-response (DR) program, with emphasis onthe importance of weathereffects. During a DR event, a variety of adjustments may be made tobuilding operation, with the goal of reducing the building peak electricload. In order to determine the actual peak load reduction, an estimateof what the load would have been on the day of the event without any DRactions is needed. This baseline load profile (BLP) is key to accuratelyassessing the load impacts from event-based DR programs and may alsoimpact payment settlements for certain types of DR programs. We testedseven baseline models on a sample of 33 buildings located in California.These models can be loosely categorized into two groups: (1) averagingmethods, which use some linear combination of hourly load values fromprevious days to predict the load on the event, and (2) explicit weathermodels, which use a formula based on local hourly temperature to predictthe load. The models were tested both with and …
Date: January 1, 2008
Creator: Coughlin, Katie; Piette, Mary Ann; Goldman, Charles & Kiliccote,Sila
Object Type: Report
System: The UNT Digital Library
Estimating the Redshift Distribution of Faint Galaxy Samples (open access)

Estimating the Redshift Distribution of Faint Galaxy Samples

None
Date: January 1, 2008
Creator: Lima, Marcos; Oyaizu, Hiroaki; Cunha, Carlos E.; Frieman, Joshua; Lin, Huan & Sheldon, Erin S.
Object Type: Article
System: The UNT Digital Library
Examination of the 1970 National Bureau of Standards Underground Corrosion Test Welded Stainless STeel Coupons from Site D (open access)

Examination of the 1970 National Bureau of Standards Underground Corrosion Test Welded Stainless STeel Coupons from Site D

A 1970 study initiated by the National Bureau of Standards (NBS), now known as the National Institute of Standards and Technology (NIST), buried over 6000 corrosion coupons or specimens of stainless steel Types 201, 202, 301, 304, 316, 409, 410, 430, and 434. The coupons were configured as sheet metal plates, coated plates, cross-welded plates, U-bend samples, sandwiched materials, and welded tubes. All coupons were of various heat-treatments and cold worked conditions and were buried at six distinctive soil-type sites throughout the United States. The NBS scientists dug five sets of two trenches at each of the six sites. In each pair of trenches, they buried duplicate sets of stainless steel coupons. The NBS study was designed to retrieve coupons after one year, two years, four years, eight years, and x years in the soil. During the first eight years of the study, four of five planned removals were completed. After the fourth retrieval, the NBS study was abandoned, and the fifth and final set of specimens remained undisturbed for over 33 years. In 2003, an interdisciplinary research team of industrial, university, and national laboratory investigators were funded under the United States Department of Energy’s Environmental Management Science Program (EMSP; …
Date: January 1, 2008
Creator: Zirker, L. R.; Flitton, M. K. Adler; Yoder, T. S. & Trowbridge, T. L.
Object Type: Report
System: The UNT Digital Library
Examining the specific entropy (density of adiabatic invariants) of the outer electron radiation belt (open access)

Examining the specific entropy (density of adiabatic invariants) of the outer electron radiation belt

Using temperature and number-density measurements of the energetic-electron population from multiple spacecraft in geosynchronous orbit, the specific entropy S = T/n{sup 2/3} of the outer electron radiation belt is calculated. Then 955,527 half-hour-long data intervals are statistically analyzed. Local-time and solar-cycle variations in S are examined. The median value of the specific entropy (2.8 x 10{sup 7} eVcm{sup 2}) is much larger than the specific entropy of other particle populations in and around the magnetosphere. The evolution of the specific entropy through high-speed-stream-driven geomagnetic storms and through magnetic-cloud-driven geomagnetic storms is studied using superposed-epoch analysis. For high-speed-stream-driven storms, systematic variations in the entropy associated with electron loss and gain and with radiation-belt heating are observed in the various storm phases. For magnetic-cloud-driven storms, multiple trigger choices for the data superpositions reveal the effects of interplanetary shock arrival, sheath driving, cloud driving, and recovery phase. The specific entropy S = T/n{sup 2/3} is algebraically expressed in terms of the first and second adiabatic invariants of the electrons: this allows a relativistic expression for S in terms of T and n to be derived. For the outer electron radiation belt at geosynchronous orbit, the relativistic corrections to the specific entropy expression are …
Date: January 1, 2008
Creator: Borovsky, Joseph E & Denton, Michael H
Object Type: Article
System: The UNT Digital Library

Example Performance Targets and Efficiency Packages Greensburg, Kansas

This presentation shows the energy performance targets and efficiency packages for residential buildings in Greensburg, Kansas.
Date: January 1, 2008
Creator: Anderson, R.
Object Type: Presentation
System: The UNT Digital Library
The Exosporium of B.cereus Contains a Binding Site for gC1qR/p33: Implication in Spore Attachment and/or Entry (open access)

The Exosporium of B.cereus Contains a Binding Site for gC1qR/p33: Implication in Spore Attachment and/or Entry

B. cereus, is a member of a genus of aerobic, gram-positive, spore-forming rod-like bacilli, which includes the deadly, B. anthracis. Preliminary experiments have shown that gC1qR binds to B.cereus spores that have been attached to microtiter plates. The present studies were therefore undertaken, to examine if cell surface gC1qR plays a role in B.cereus spore attachment and/or entry. Monolayers of human colon carcinoma (Caco-2) and lung cells were grown to confluency on 6 mm coverslips in shell vials with gentle swirling in a shaker incubator. Then, 2 {micro}l of a suspension of strain SB460 B.cereus spores (3x10{sup 8}/ml, in sterile water), were added and incubated (1-4 h; 36{sup 0} C) in the presence or absence of anti-gC1qR mAb-carbon nanoloops. Examination of these cells by EM revealed that: (1) When B. cereus endospores contacted the apical Caco-2 cell surface, or lung cells, gClqR was simultaneously detectable, indicating upregulation of the molecule. (2) In areas showing spore contact with the cell surface, gClqR expression was often adjacent to the spores in association with microvilli (Caco-2 cells) or cytoskeletal projections (lung cells). (3) Furthermore, the exosporia of the activated and germinating spores were often decorated with mAb-nanoloops. These observations were further corroborated by …
Date: January 1, 2008
Creator: Ghebrehiwet, Berhane; Tantral, Lee; Titmus, Matthew A.; Panessa-Warren, Barbara J.; Tortora, George T.; Wong, Stanislaus S. et al.
Object Type: Book
System: The UNT Digital Library
Explicit kinetic heterogeneity: mechanistic models for interpretation of labeling data in heterogeneous populations (open access)

Explicit kinetic heterogeneity: mechanistic models for interpretation of labeling data in heterogeneous populations

Estimation of division and death rates of lymphocytes in different conditions is vital for quantitative understanding of the immune system. Deuterium, in the form of deuterated glucose or heavy water, can be used to measure rates of proliferation and death of lymphocytes in vivo. Inferring these rates from labeling and delabeling curves has been subject to considerable debate with different groups suggesting different mathematical models for that purpose. We show that the three models that are most commonly used are in fact mathematically identical and differ only in their interpretation of the estimated parameters. By extending these previous models, we here propose a more mechanistic approach for the analysis of data from deuterium labeling experiments. We construct a model of 'kinetic heterogeneity' in which the total cell population consists of many sub-populations with different rates of cell turnover. In this model, for a given distribution of the rates of turnover, the predicted fraction of labeled DNA accumulated and lost can be calculated. Our model reproduces several previously made experimental observations, such as a negative correlation between the length of the labeling period and the rate at which labeled DNA is lost after label cessation. We demonstrate the reliability of the …
Date: January 1, 2008
Creator: Ganusov, Vitaly V
Object Type: Article
System: The UNT Digital Library
The Express-Star (Chickasha, Okla.), Ed. 1 Tuesday, January 1, 2008 (open access)

The Express-Star (Chickasha, Okla.), Ed. 1 Tuesday, January 1, 2008

Daily newspaper from Chickasha, Oklahoma that includes local, state, and national news along with advertising.
Date: January 1, 2008
Creator: Wilson, Chris
Object Type: Newspaper
System: The Gateway to Oklahoma History
Expression, Purification, and Small Angle X-Ray Scattering of DNA Replication and Repair Proteins From the Hyperthermophile Sulfolobus Solfataricus (open access)

Expression, Purification, and Small Angle X-Ray Scattering of DNA Replication and Repair Proteins From the Hyperthermophile Sulfolobus Solfataricus

Vital molecular processes such as DNA replication, transcription, translation, and maintenance occur through transient protein interactions. Elucidating the mechanisms by which these protein complexes and interactions function could lead to treatments for diseases related to DNA damage and cell division control. In the recent decades since its introduction as a third domain, Archaea have shown to be simpler models for complicated eukaryotic processes such as DNA replication, repair, transcription, and translation. Sulfolobus solfataricus is one such model organism. A hyperthermophile with an optimal growth temperature of 80°C, Sulfolobus protein-protein complexes and transient protein interactions should be more stable at moderate temperatures, providing a means to isolate and study their structure and function. Here we provide the initial steps towards characterizing three DNA-related Sulfolobus proteins with small angle X-ray scattering (SAXS): Sso0257, a cell division control and origin recognition complex homolog, Sso0768, the small subunit of the replication factor C, and Sso3167, a Mut-T like protein. SAXS analysis was performed at multiple concentrations for both short and long exposure times. The Sso0257 sample was determined to be either a mixture of monomeric and dimeric states or a population of dynamic monomers in various conformational states in solution, consistent with a fl …
Date: January 1, 2008
Creator: Patterson, S.M.; Hatherill, J.R.; Hammel, M.; Hura, G.L.; Tainer, J.A. & Yannone, S.M.
Object Type: Article
System: The UNT Digital Library
Extension of the Inverse Adding-Doubling Method to the Measurement of Wavelength-Dependent Absorption and Scattering Coefficients of Biological Samples (open access)

Extension of the Inverse Adding-Doubling Method to the Measurement of Wavelength-Dependent Absorption and Scattering Coefficients of Biological Samples

Light interaction with biological tissue can be described using three parameters: the scattering and absorption coeffi cients (μs and μa), as well as the anisotropy (g) which describes the directional dependence of the scattered photons. Accurately determining these optical properties for different tissue types at specifi c wavelengths simultaneously would be benefi cial for a variety of different biomedical applications. The goal of this project was to take a user defi ned g-value and determine the remaining two parameters for a specifi ed wavelength range. A fully automated computer program and process was developed to collect data for all wavelengths in a timely and accurate manner. LabVIEW® was used to write programs to automate raw intensity data collection from a spectrometer equipped integrating sphere, conversion of the data into a format for analysis via Scott Prahl’s Inverse Adding-Doubling (IAD) C code execution, and fi nally computation of the optical properties based on the output from the IAD code. To allow data to be passed effi ciently between LabVIEW® and C code program modules, the two were combined into a single program (OPT 3.1). OPT 3.1 was tested using tissue mimicking phantoms. Determination of the absorption and scattering coeffi cients showed …
Date: January 1, 2008
Creator: Allegood, M.S. & Baba, J.S.
Object Type: Article
System: The UNT Digital Library
Federal Grant Fully Funds Small Turbine Installation at Maine Senior Housing Complex (open access)

Federal Grant Fully Funds Small Turbine Installation at Maine Senior Housing Complex

In March 2007, local agencies in Maine launched an effort to reduce energy costs for residents of a subsidized elderly housing complex in Winter Harbor, resulting in a federal Residential Energy Assistance Challenge (REACH) grant that entirely funded the installation of a 10-kW Bergey Excel turbine. This fact sheet describes the project, including difficulties encountered during the permitting process and a summary of the costs covered by the REACH grant.
Date: January 1, 2008
Creator: unknown
Object Type: Report
System: The UNT Digital Library
Feeding of the 1 1/2- Isomers in Stable Ir and Au Isotopes (open access)

Feeding of the 1 1/2- Isomers in Stable Ir and Au Isotopes

Excited states were studied and absolute partial {gamma}-ray cross sections were measured using the ({eta}, {eta}'{gamma}) reaction in {sup 191}Ir, {sup 193}Ir and {sup 197}Au. A Compton-suppressed germanium-detector array (GEANIE) for {gamma}-ray spectroscopy and the broad-spectrum pulsed neutron source of the Los Alamos Neutron Science Center's WNR facility were used for the measurement. The energy of the incident neutrons was determined using the time-of-flight technique. Absolute partial {gamma}-ray cross sections were measured up to incident neutron energy of 20 MeV for several transitions feeding directly the 1 1/2- isomers and ground states in {sup 191}Ir, {sup 193}Ir and {sup 197}Au. The feeding of the 1 1/2- isomers, which originate from the odd proton occupying the h{sub 1 1/2} orbital, was found for the three targets to be very similar and increasing relative to the feeding of the corresponding ground state with increasing neutron energy up to E{sub n} {approx} 10 MeV. Above this neutron energy the opening of the (n, 2{sub n}) reaction channel strongly affects the population of the isomers and leads to a decrease of their relative population compared to the population of the ground states. The experimental results are compared with theoretical predictions from the GNASH reaction …
Date: January 1, 2008
Creator: Fotiadis, Nikolaos; Nelson, Ronald O.; Devlin, Matthew; Holloway, Shannon T.; Kawano, Toshihiko; Talou, Patrick et al.
Object Type: Article
System: The UNT Digital Library
Fermilab Muon Collider Task Force (open access)

Fermilab Muon Collider Task Force

Muon Colliders offer a possible long term path to lepton-lepton collisions at center-of-mass energies {radical}s {ge} 1 TeV. In October 2006 the Muon Collider Task Force (MCTF) proposed [1] a program of advanced accelerator R&D aimed at developing the Muon Collider concept. The proposed R&D program was motivated by progress on Muon Collider design in general, and in particular, by new ideas that have emerged on muon cooling channel design. The scope of the proposed MCTF R&D program includes muon collider design studies, helical cooling channel design and simulation, high temperature superconducting solenoid studies, an experimental program using beams to test cooling channel rf cavities and a 6D cooling demonstration channel. A summary is given of results from the first year of Muon Collider Task Force activities.
Date: January 1, 2008
Creator: Geer, Steve
Object Type: Article
System: The UNT Digital Library
Final Report on Kokes Awards for the 20th North American Catalysis Society Meeting (open access)

Final Report on Kokes Awards for the 20th North American Catalysis Society Meeting

This Final Report describes how the Kokes Awards program was carried out for the 2007 meeting with regard to selection of students and disbursement of funds received from DOE and other sources. The objective of the Richard J. Kokes Travel Award program of the American Catalysis Society is to encourage graduate students to attend and participate meaningfully in the biennial North American Catalysis Society Meeting.
Date: January 1, 2008
Creator: Wong, Michael S.
Object Type: Text
System: The UNT Digital Library
Final report on LDRD project 105967 : exploring the increase in GaAs photodiode responsivity with increased neutron fluence. (open access)

Final report on LDRD project 105967 : exploring the increase in GaAs photodiode responsivity with increased neutron fluence.

A previous LDRD studying radiation hardened optoelectronic components for space-based applications led to the result that increased neutron irradiation from a fast-burst reactor caused increased responsivity in GaAs photodiodes up to a total fluence of 4.4 x 10{sup 13} neutrons/cm{sup 2} (1 MeV Eq., Si). The silicon photodiodes experienced significant degradation. Scientific literature shows that neutrons can both cause defects as well as potentially remove defects in an annealing-like process in GaAs. Though there has been some modeling that suggests how fabrication and radiation-induced defects can migrate to surfaces and interfaces in GaAs and lead to an ordering effect, it is important to consider how these processes affect the performance of devices, such as the basic GaAs p-i-n photodiode. In this LDRD, we manufactured GaAs photodiodes at the MESA facility, irradiated them with electrons and neutrons at the White Sands Missile Range Linac and Fast Burst Reactor, and performed measurements to show the effect of irradiation on dark current, responsivity and high-speed bandwidth.
Date: January 1, 2008
Creator: Blansett, Ethan L.; Geib, Kent Martin; Cich, Michael Joseph; Wrobel, Theodore Frank; Peake, Gregory Merwin; Fleming, Robert M. et al.
Object Type: Report
System: The UNT Digital Library
Final report on LDRD project : biodiesel production from vegetable oils using slit-channel reactors. (open access)

Final report on LDRD project : biodiesel production from vegetable oils using slit-channel reactors.

This report documents work done for a late-start LDRD project, which was carried out during the last quarter of FY07. The objective of this project was to experimentally explore the feasibility of converting vegetable (e.g., soybean) oils to biodiesel by employing slit-channel reactors and solid catalysts. We first designed and fabricated several slit-channel reactors with varying channel depths, and employed them to investigate the improved performance of slit-channel reactors over traditional batch reactors using a NaOH liquid catalyst. We then evaluated the effectiveness of several solid catalysts, including CaO, ZnO, MgO, ZrO{sub 2}, calcium gluconate, and heteropolyacid or HPA (Cs{sub 2.5}H{sub 0.5}PW{sub 12}O{sub 40}), for catalyzing the soybean oil-to-biodiesel transesterification reaction. We found that the slit-channel reactor performance improves as channel depth decreases, as expected; and the conversion efficiency of a slit-channel reactor is significantly higher when its channel is very shallow. We further confirmed CaO as having the highest catalytic activity among the solid catalysts tested, and we demonstrated for the first time calcium gluconate as a promising solid catalyst for converting soybean oil to biodiesel, based on our preliminary batch-mode conversion experiments.
Date: January 1, 2008
Creator: Kalu, E. Eric (FAMU-FSU College of Engineering, Tallahassee, FL) & Chen, Ken Shuang
Object Type: Report
System: The UNT Digital Library
First Measurement of ZZ Production in panti-p Collisions at s**(1/2) = 1.96-TeV (open access)

First Measurement of ZZ Production in panti-p Collisions at s**(1/2) = 1.96-TeV

We report the first measurement of the cross section for Z boson pair production at a hadron collider. This result is based on a data sample corresponding to 1.9 fb{sup -1} of integrated luminosity from p{bar p} collisions at {radical}s = 1.96 TeV collected with the CDF II detector at the Fermilab Tevatron. In the {ell}{ell}{ell}{prime}{ell}{prime} channel, we observe three ZZ candidates with an expected background of 0.096{sub -0.063}{sup +0.092} events. In the {ell}{ell}{nu}{nu} channel, we use a leading-order calculation of the relative ZZ and WW event probabilities to discriminate between signal and background. In the combination of {ell}{ell}{ell}{prime}{ell}{prime} and {ell}{ell}{nu}{nu} channels, we observe an excess of events with a probability of 5.1 x 10{sup -6} to be due to the expected background. This corresponds to a significance of 4.4 standard deviations. The measured cross section is {sigma}(p{bar p} {yields}ZZ) = 1.4{sub -0.6}{sup +0.7} (stat.+syst.) pb, consistent with the standard model expectation.
Date: January 1, 2008
Creator: Aaltonen, T.; Adelman, J.; Akimoto, T.; Albrow, M. G.; Alvarez Gonzalez, B.; Amerio, S. et al.
Object Type: Article
System: The UNT Digital Library
First-principles studies of H2S adsorption and dissociation on metal surfaces (open access)

First-principles studies of H2S adsorption and dissociation on metal surfaces

Exposure of Pd-based hydrogen purification membranes to H,S. a common contaminant in coal gasification streams, can cause membrane performance to deteriorate, either by deactivating surface sites required for dissociative H, adsorption or by forming a low-permeability sulfide scale. In this work. the composition, structure, and catalytic activity of Pd4S, a surface scale commonly observed in Pd-membrane separation of hydrogen from sulfur-containing gas streams, were examined using a combination of experimental characterization and density functional theory (DFT) calculations. A Pd,S sample was prepared by exposing a 100 f1m Pd foil to H2S at 908 K. Both X-ray photoemission depth profiling and low energy ion scattering spectroscopic (LEISS) analysis reveal slight sulfur-enrichment of the top surface of the sample. This view is consistent with the predictions of DFT atomistic thermodynamic calculations. which identified S-terminated Pd,S surfaces as energetically favored over corresponding Pd-terminated surfaces. Activation barriers for H2 dissociation on the Pd,S surfaces were calculated. Although barriers are higher than on Pd(lll). transition state theory analysis identified reaction pathways on the S-terminated surfaces for which hydrogen dissociation rates are high enough to sustain the separation process at conditions relevant to gasification applications
Date: January 1, 2008
Creator: Alfonso, D.R.
Object Type: Article
System: The UNT Digital Library