PNNL-13501 - Pacific Northwest National Laboratory

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Enhancing Emissions Pre-Processing Capabilities for Atmospheric Chemistry Study Control Number: PN00040/1447 Elaine G. Chapman, Jerome D. Fast, W. Richard Barchet Atmospheric chemical transport models are used in research ranging from global climate change to pollution abatement strategies for meeting urban air quality standards. Emissions are an essential input to these models. This project enhanced the efficiency, effectiveness, and accuracy with which model-ready emissions may be generated. Project Description The purpose of this project was to enhance our capability for modeling atmospheric pollutants. Observed pollutant concentrations result from local emissions reacting with chemical species transported into an area from long distances. To accurately model and understand such situations, we need to capture the local, regional, and synoptic meteorological and chemical factors, as well as to provide accurate local-, regional- and continental-scale emissions inputs. We designed algorithms and developed computer codes to combine different pollutant emissions inventories with differing spatial and temporal scales. The resulting nested emissions provide substantially improved model input relative to the standard procedure of using only one inventory. We also expanded the chemical detail and number of emissions inventories available for routine use with our models, and generalized our in-house emissions preprocessing programs. This project advanced our ability to readily and efficiently assemble the most appropriate emissions input for a given model application. Results and Accomplishments We successfully realized substantial increases in efficiency by generalizing, standardizing, and automating selected in-house emissions processing programs. Staff prepared emissions inputs for two separate modeling efforts, one of which involved emissions inputs from a new global inventory that we had not previously worked with. Using programs enhanced under this project, one person was able to generate the necessary model-ready emissions inputs, with selected graphics and summary information, in less than 8 hours. We estimate it would have required 3 days for each modeling effort (6 days total) prior to the improvements realized under this project. The more efficient processing programs were used to generate a prototype nested emissions data set for modeling applications. We successfully wrote and tested 216 FY 2000 <strong>Laboratory</strong> Directed Research and Development Annual Report computer codes for reading, regridding, speciating, and nesting emissions inventories with different temporal and spatial scales. The codes were developed in a generic format, to permit ready use in future modeling efforts. We used these programs to generate a prototype doublenested, model-ready emissions input data set for modeling air quality in the vicinity of Phoenix, Arizona. The final, model-ready emissions data set included California Air Resources Board emissions for southern California and Arizona Department of Environmental Quality emissions for Phoenix nested within the continental-scale <strong>National</strong> Emissions Trends Inventory of the U.S. EPA, all nested within global emissions data from the Global Emissions Inventory Activity. Model predictions capture the major features, and many minor features, of chemical measurements taken in Phoenix, and unequivocally show that ozone concentrations in the Phoenix area are governed mainly by hydrocarbons, rather than by locally emitted nitrogen oxide (NOx) compounds. Interpretation of regional influences on Phoenix urban chemistry was significantly enhanced through use of the detailed nested emissions input, emphasizing the importance of emissions on overall model results. Summary and Conclusions Although significant improvements in processing capabilities were realized and a novel, nested emissions set successfully generated and used, the major conclusion of this work is that such advances represent only a stopgap measure relative to the direction of atmospheric chemistry modeling. Publicly available, gridded emissions inventories represent static levels. These inventories generated assuming average conditions over a given time period. Such inventories are processed offline to produce model-ready emission fluxes. We foresee modeling efforts, particularly regional-scale modeling programs, moving toward needing dynamically derived emissions that reflect specific meteorological conditions in a specific time period in a specific geographic region. We also foresee a need to eventually couple emissionsgenerating modules directly with the chemical,
meteorological, and numerical integration modules within all chemical transport models, rather than continuing with off-line processing. Additional efforts to establish such a modeling capability will advance future atmospheric research. Publication and Presentation Fast JD and EG Chapman. 2000. “Regional-scale transport in the vicinity of Phoenix during a spring field campaign.” In Preprints, Symposium on Atmospheric Chemistry Issues in the 21st Century, Long Beach, California, pp. 108-113. American Meteorological Society, Boston, Massachusetts. (AMS Annual Meeting, Long Beach, California, January 10-13, 2000). Earth System Science 217
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Laboratory Directed Research and De
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Laboratory Directed Research and De
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Computational Science and Engineeri
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Policy and Management Sciences Asse
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Introduction Department of Energy O
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5. After reviews by the Technical a
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• The Technical Council peer revi
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methods applicable to combustion, s
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Summary Each national laboratory mu
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Study Control Number: PN0004/1411 A
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Table 1. Positive and negative ions
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m/z Arbitrary Units Figure 1. Mass
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introduce low-volatility compounds
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arrangement, but the charge is reta
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two liquid chromatographic gradient
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Integrated Microfabricated Devices
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Matrix Assisted Laser Desorption/Io
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Molecular Beam Synthesis and Charac
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temperature distribution of the des
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expected to result in significant a
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Study Control Number: PN99069/1397
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Seuss DT and KA Prather. 1999. “M
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Analysis of Receptor-Modulated Ion
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laboratory (Lu and Xie 1997; Lu et
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Automated DNA Fingerprinting Microa
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Comparison of 4 Xanthomonas Isolate
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Approach Hematopoietic (bone marrow
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Anti-Human lgG Human lgG Protein G
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Characterization of Global Gene Reg
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PCR products for immobilization on
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identify novel proteins of importan
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Immunoprecipitaton of tyrosinephosp
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Coupled NMR and Confocal Microscopy
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In the optical microscopy image, th
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Development and Applications of a M
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Figure 3. Hepa-1 cells undergoing a
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cellular processing (such as post-t
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8. Initial demonstration of an off-
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expression systems for several year
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accumulation of protein products, i
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Fungal Conversion of Agricultural W
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Fungal Conversion of Waste Glucose/
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Summary and Conclusions We demonstr
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are shown in Figure 1(a) and 1(b),
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Anchorage-Independent Growth (% con
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selection of seedlings demonstratin
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NMR-Based Structural Genomics Micha
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Solution-State Structure and Fold-C
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Plant Root Exudates and Microbial G
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Summary and Conclusions • The gre
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Jones-Oliveira JB, JS Oliveira, HE
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• securely moves files to a targe
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Plenary invited lecture, “The Ele
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Figure 1. X3DGEN tetrahedral mesh o
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Figure 5a. OSO volume rendering of
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Development of Models of Cell-Signa
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SOS p 23 EGFR Professor Rodland at
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Oliveira JS, JB Jones-Oliveira, and
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Figure 2. Associating a dataset mar
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to 1) incorporate three-dimensional
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shown in Figure 1. Simulated result
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HostBuilder: A Tool for the Combina
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Invariant Discretization Methods fo
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Graphics, Inc., workstation. The co
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Mixed Hamiltonian Methods for Geoch
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guyanaite, and grimaldiite (see Fig
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in the Environmental Molecular Scie
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Simulation and Modeling of Electroc
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Summary and Conclusions We implemen
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Since the implementation of the gen
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asis of previous performance, perce
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Bioinformatics for High-Throughput
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Summary and Conclusions In previous
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User Cat - Supervisor (client) Anal
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The second goal was to research way
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Figure 2. Setup for the second expe
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phase. The algorithms will be teste
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[Pb-212]/[Pb-212] final 100 10 1 0.
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Plasma Particle Dielectric Fiber El
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(species, sub-species, and sex), sp
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Figure 3. Relative risk of bone and
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Development of a Preliminary Physio
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Development of a Virtual Respirator
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Figure 3. Use of the chest cavity a
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Examination of the Use of Diazolumi
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Indoor Air Pathways to Nuclear, Che
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Source Building Release Observed re
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To illustrate the potential impact
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Non-Invasive Biological Monitoring
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Materials Science and Technology
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Figure 1. (a) - (c) Successive magn
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Component Fabrication and Assembly
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Development of a Low-Cost Photoelec
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elaxations, indicating the adequacy
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Promising chemical durability, as m
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Study Control Number : PN98028/1274
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High Power Density Solid Oxide Fuel
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Hybrid Plasma Process for Vacuum De
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Matson DW, PM Martin, WD Bennett, J
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We showed the proof-of-principle ap
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Bandgap Energy (eV) 2.9 2.85 2.8 2.
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Ultrathin Electrolyte Test Results
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Detailed Investigations on Hydrogen
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identified low energy step structur
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Development of Novel Photo-Catalyst
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-2 -1 Energy (eV) 0 1 2 Cu2O SrTiO3
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Here, we perform adsorption and des
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exceed those in the all-metal devic
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Intensity (a.u.) 0 100 200 300 400
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integrated voltage (V) 0.10 0.08 0.
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The first step was to implement thi
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Spontaneous Formation of Cu2O Nano-
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Actinide Chemistry at the Aqueous-M
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Figure 5. Close-up atomic force mic
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to 300°C and 400°C. Unfortunately
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Summary and Conclusions Transmutati
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Advanced Calibration/Registration T
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Figure 1a. Violet filter Figure 1b.
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Autonomous Ultrasonic Probe for Pro
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containing nitrous oxide, an optica
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Chemical Detection Using Cavity Enh
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Figure 3 is a color rendered simula
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appropriate study has been performe
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Exploitation of Conventional Chemic
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Figures 3 and 4 illustrate the impa
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enefits of using a modified spread-
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Single Channel Signal 0.0025 0.0020
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Therefore, in order to extract the
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A next-generation technology is nee
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Wind Dir. Figure 2. Negative ion co
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Volumetric Imaging of Materials by
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amplitude and peak frequency change
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Figure 3. 13 C NMR spectrum of corn
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Approach Two flow loops, one that o
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Modification of Ion Exchange Resins
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Permanganate Treatment for the Deco
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minimized by medium exchange. After
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Figure 1. Thermogravimetric analysi
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Validation and Scale-Up of Monosacc
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Concentration (g/100g solution) Con
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Analysis of High-Volume, Hyper-Dime
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ecent figure of merit values. Shoul
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Probabilistic Methods Development f
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a) Traditional PCA-based process co
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Acronyms and Abbreviations 2-D two-
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PNNL-13501 - Pacific Northwest National Laboratory

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