Littérature scientifique sur le sujet « Chemistry and transport model »

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Articles de revues sur le sujet "Chemistry and transport model"

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Menut, Laurent, Arineh Cholakian, Romain Pennel, et al. "The CHIMERE chemistry-transport model v2023r1." Geoscientific Model Development 17, no. 14 (2024): 5431–57. http://dx.doi.org/10.5194/gmd-17-5431-2024.

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Abstract. A new version of the CHIMERE model is presented. This version contains both computational and physico-chemical changes. The computational changes make it easy to choose the variables to be extracted as a result, including values of maximum sub-hourly concentrations. Performance tests show that the model is 1.5 to 2 times faster than the previous version for the same setup. Processes such as turbulence, transport schemes and dry deposition have been modified and updated. Optimization was also performed for the management of emissions such as anthropogenic and mineral dust. The impact
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Wohltmann, I., and M. Rex. "The Lagrangian chemistry and transport model ATLAS: validation of transport and mixing." Geoscientific Model Development Discussions 2, no. 2 (2009): 709–62. http://dx.doi.org/10.5194/gmdd-2-709-2009.

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Abstract. We present a new global Chemical Transport Model (CTM) with full stratospheric chemistry and Lagrangian transport and mixing called ATLAS (Alfred Wegener InsTitute LAgrangian Chemistry/Transport System). Lagrangian (trajectory-based) models have several important advantages over conventional Eulerian (grid-based) models, including the absence of spurious numerical diffusion, efficient code parallelization and no limitation of the largest time step by the Courant-Friedrichs-Lewy criterion. The basic concept of transport and mixing is similar to the approach in the commonly used CLaMS
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Menut, Laurent, Bertrand Bessagnet, Régis Briant, et al. "The CHIMERE v2020r1 online chemistry-transport model." Geoscientific Model Development 14, no. 11 (2021): 6781–811. http://dx.doi.org/10.5194/gmd-14-6781-2021.

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Abstract. The CHIMERE chemistry-transport model v2020r1 replaces the v2017r5 version and provides numerous novelties. The most important of these is the online coupling with the Weather Research and Forecasting (WRF) meteorological model via the OASIS3 – Model Coupling Toolkit (MCT) external coupler. The model can still be used in offline mode; the online mode enables us to take into account the direct and indirect effects of aerosols on meteorology. This coupling also enables using the meteorological parameters with sub-hourly time steps. Some new parameterizations are implemented to increase
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Wohltmann, I., and M. Rex. "The Lagrangian chemistry and transport model ATLAS: validation of advective transport and mixing." Geoscientific Model Development 2, no. 2 (2009): 153–73. http://dx.doi.org/10.5194/gmd-2-153-2009.

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Abstract. We present a new global Chemical Transport Model (CTM) with full stratospheric chemistry and Lagrangian transport and mixing called ATLAS (Alfred Wegener InsTitute LAgrangian Chemistry/Transport System). Lagrangian (trajectory-based) models have several important advantages over conventional Eulerian (grid-based) models, including the absence of spurious numerical diffusion, efficient code parallelization and no limitation of the largest time step by the Courant-Friedrichs-Lewy criterion. The basic concept of transport and mixing is similar to the approach in the commonly used CLaMS
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Deckert, R., P. Jöckel, V. Grewe, K. D. Gottschaldt, and P. Hoor. "A quasi chemistry-transport model mode for EMAC." Geoscientific Model Development Discussions 3, no. 4 (2010): 2189–220. http://dx.doi.org/10.5194/gmdd-3-2189-2010.

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Abstract. A quasi chemistry-transport model mode (QCTM) is presented for the numerical chemistry-climate simulation system ECHAM/MESSy Atmospheric Chemistry (EMAC). It allows for a quantification of chemical signals through suppression of any feedback between chemistry and dynamics. Noise would otherwise interfere too strongly. The signal follows from the difference of two QCTM simulations, reference and sensitivity. These are fed with offline chemical fields as a substitute of the feedbacks between chemistry and dynamics: offline mixing ratios of radiatively active substances enter the radiat
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Deckert, R., P. Jöckel, V. Grewe, K. D. Gottschaldt, and P. Hoor. "A quasi chemistry-transport model mode for EMAC." Geoscientific Model Development 4, no. 1 (2011): 195–206. http://dx.doi.org/10.5194/gmd-4-195-2011.

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Abstract. A quasi chemistry-transport model mode (QCTM) is presented for the numerical chemistry-climate simulation system ECHAM/MESSy Atmospheric Chemistry (EMAC). It allows for a quantification of chemical signals through suppression of any feedback between chemistry and dynamics. Noise would otherwise interfere too strongly. The signal is calculated from the difference of two QCTM simulations, a reference simulation and a sensitivity simulation. In order to avoid the feedbacks, the simulations adopt the following offline chemical fields: (a) offline mixing ratios of radiatively active subst
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Riede, H., P. Jöckel, and R. Sander. "Quantifying atmospheric transport, chemistry, and mixing using a new trajectory-box model and a global atmospheric-chemistry GCM." Geoscientific Model Development 2, no. 2 (2009): 267–80. http://dx.doi.org/10.5194/gmd-2-267-2009.

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Abstract. We present a novel method for the quantification of transport, chemistry, and mixing along atmospheric trajectories based on a consistent model hierarchy. The hierarchy consists of the new atmospheric-chemistry trajectory-box model CAABA/MJT and the three-dimensional (3-D) global ECHAM/MESSy atmospheric-chemistry (EMAC) general circulation model. CAABA/MJT employs the atmospheric box model CAABA in a configuration using the atmospheric-chemistry submodel MECCA (M), the photochemistry submodel JVAL (J), and the new trajectory submodel TRAJECT (T), to simulate chemistry along atmospher
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Wohltmann, Ingo, Daniel Kreyling, and Ralph Lehmann. "Transport parameterization of the Polar SWIFT model (version 2)." Geoscientific Model Development 15, no. 18 (2022): 7243–55. http://dx.doi.org/10.5194/gmd-15-7243-2022.

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Abstract. The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in the polar vortex in winter. It is intended for use in general circulation models (GCMs) and earth system models (ESMs) to enable the simulation of interactions between the ozone layer and climate when a full stratospheric chemistry scheme is computationally too expensive. In addition to the simulation of chemistry, ozone has to be transported in the GCM. As an alternative to the general schemes for the transport and mixing of tracers in the GCMs, a parameterization of the transpor
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Wang, ChangJian, Jennifer Wen, ShouXiang Lu, and Jin Guo. "Single-step chemistry model and transport coefficient model for hydrogen combustion." Science China Technological Sciences 55, no. 8 (2012): 2163–68. http://dx.doi.org/10.1007/s11431-012-4932-4.

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Borisov, D. V., and I. U. Shalygina. "Refinement of land use data for emission calculations in the CHIMERE chemistry-transport model: A case study for the Nizhny Novgorod region ." Hydrometeorological research and forecasting 3 (September 2021): 150–61. http://dx.doi.org/10.37162/2618-9631-2021-3-150-161.

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Refinement of land use data for emission calculations in the CHIMERE chemistry-transport model: A case study for the Nizhny Novgorod region / Borisov D.V., Shalygina I.U. // Hydrometeorological Research and Forecasting, 2021, no. 3 (381), pp. 150-161. The quality of calculating the concentration of pollutants in the chemistry-transport model largely depends on the reliability of used emission data. The possibility of updating the EMEP (European Monitoring and Evaluation Program) emission data using OpenStreetMap geodata for the CHIMERE chemistry-transport model calculations is discussed on the
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Thèses sur le sujet "Chemistry and transport model"

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Al-Mudaris, A. A. M. "Ionic transport in model polymer electrolytes." Thesis, University of Kent, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.235984.

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Monks, Sarah Anne. "A model study of chemistry and transport in the Arctic troposphere." Thesis, University of Leeds, 2011. http://etheses.whiterose.ac.uk/2286/.

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In this thesis the TOMCAT chemical transport model is used to investigate the processes which control the concentrations of CO and O3 in the Arctic troposphere. Particular focus is on understanding the main sources of CO, O3 and NOy species in the Arctic, distinguishing between natural and anthropogenic sources and the current drivers of interannual variability (IAV). First results from a new version of TOMCAT, with extended hydrocarbon chemistry and heterogeneous uptake of N2O5, shows better agreement with observed CO from MOPITT, surface stations and aircraft. Changes in simulated burdens de
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Sim, Alec. "Unified model of charge transport in insulating polymeric materials." Thesis, Utah State University, 2014. http://pqdtopen.proquest.com/#viewpdf?dispub=3606878.

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<p> Presented here is a detailed study of electron transport in highly disordered insulating materials (HDIM). Since HDIMs do not lend themselves to a lattice construct, the question arises: How can we describe their electron transport behavior in a consistent theoretical framework? In this work, a large group of experiments, theories, and physical models are coalesced into a single formalism to better address this difficult question. We find that a simple set of macroscopic transport equations--cast in a new formalism--provides an excellent framework in which to consider a wide array of exp
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Klasen, Dagmar. "Variational assimilation of stratospheric remote sounding data by an adjoint chemistry-transport-model." [S.l.] : [s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=969576269.

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Crone, Gilia Cornelia. "Parallel Lagrangian models for turbulent transport and chemistry." [S.l.] : Utrecht : [s.n.] ; Universiteitsbibliotheek Utrecht [Host], 1997. http://www.ubu.ruu.nl/cgi-bin/grsn2url?01763357.

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Follows, Michael John. "A statistical-dynamical climate model to trace gas transport and chemistry in the troposphere." Thesis, University of East Anglia, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.278041.

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Schrödner, Roland. "Modeling the tropospheric multiphase aerosol-cloud processing using the 3-D chemistry transport model COSMO-MUSCAT." Doctoral thesis, Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-199294.

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Die chemische Zusammensetzung und die physikalischen Eigenschaften von troposphärischen Gasen, Partikeln und Wolken hängen aufgrund zahlreicher Prozesse stark voneinander ab. Insbesondere chemische Multiphasenprozesse in Wolken können die physiko-chemischen Eigenschaften der Luft und troposphärischer Partikel klein- und großräumig verändern. Diese chemische Prozessierung des troposphärischen Aerosols innerhalb von Wolken beeinflusst die chemischen Umwandlungen in der Atmosphäre, die Bildung von Wolken, deren Ausdehnung und Lebensdauer, sowie die Transmissivität von einfallender und ausgehender
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Janardhanan, Vinod. "A detailed approach to model transport, heterogeneous chemistry, and electrochemistry in solid-oxide fuel cells." Karlsruhe : Univ.-Verl. Karlsruhe, 2007. http://d-nb.info/986289124/34.

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Labrador, Lorenzo. "Sensitivity of tropospheric chemistry to the source of NOx from lightning simulations with the global 3D chemistry transport model MATCH-MPIC /." [S.l.] : [s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=97690277X.

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Ibikunle, Olatunde Idris. "Modelling Chlorine Transport in Temperate Soils." Thesis, Linköping University, Department of Water and Environmental Studies, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-9524.

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<p>Microbes have been suggested to have a strong impact on the transportation of chlorine in soils. There are speculations about environmental factors limiting microbial effect on chlorine movement and retention. For this study, a numerical hydrochemical model was built to describe microbial transformation of chlorine in a laboratory lysimeter experiment. Undisturbed soil cores used to set-up the experiment were collected from a coniferous forest soil in southeast Sweden. The lysimeters were modelled in groups depending on their different water and chloride treatments. Microbial transformation
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Livres sur le sujet "Chemistry and transport model"

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Runkel, Robert L. One-Dimensional Transport with Equilibrium Chemistry (OTEQ): A reactive transport model for streams and rivers. U.S. Department of the Interior, U.S. Geological Survey, 2010.

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Yung, Y. L. Chemistry and transport in a multi-dimensional model: Annual performance report for NAGW-413. National Aeronautics and Space Administration, 1993.

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Myers, Tommy E. Application of a semianalytical model to TNT transport in laboratory soil columns. U.S. Army Engineer Waterways Experiment Station, 1998.

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O, Manning James, and United States. National Aeronautics and Space Administration., eds. A study of carbon monoxide distribution determinations for a global transport model. National Aeronautics and Space Administration, 1987.

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Janardhanan, Vinod. A detailed approach to model transport, heterogeneous chemistry, and electrochemistry in solid-oxide fuel cells. Universita tsverlag, 2007.

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Follows, Michael John. A statistical-dynamical climate model applied to trace gas transport and chemistry in the Troposphere. University of East Anglia, 1990.

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Clark, Mark M. Transport modeling for environmental engineers and scientists. 2nd ed. Wiley, 2009.

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Clark, Mark M. Transport modeling for environmental engineers and scientists. 2nd ed. Wiley, 2009.

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Clark, Mark M. Transport modeling for environmental engineers and scientists. 2nd ed. Wiley, 2009.

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D, Reible Danny, ed. Diffusion models of environmental transport. Lewis Publishers, 2000.

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Chapitres de livres sur le sujet "Chemistry and transport model"

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Bieser, Johannes, and Martin Otto Paul Ramacher. "Multi-compartment Chemistry Transport Models." In Springer Proceedings in Complexity. Springer Berlin Heidelberg, 2021. http://dx.doi.org/10.1007/978-3-662-63760-9_18.

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Müller, Andreas. "Parallelization of a mesoscale atmospheric transport-chemistry model." In High-Performance Computing and Networking. Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/3-540-61142-8_548.

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Tung, K. K. "A Coupled Model of Zonally Averaged Dynamics, Radiation and Chemistry." In Transport Processes in the Middle Atmosphere. Springer Netherlands, 1987. http://dx.doi.org/10.1007/978-94-009-3973-8_13.

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Joly, Mathieu, Béatrice Josse, Matthieu Plu, Joaquim Arteta, Jonathan Guth, and Frédérik Meleux. "High-Resolution Air Quality Forecasts with MOCAGE Chemistry Transport Model." In Springer Proceedings in Complexity. Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-24478-5_91.

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Venkatram, Akula, Shuming Du, Ramamurthy Hariharan, William Carter, and Robert Goldstein. "The Separation of Transport and Chemistry in a Photochemical Model." In Air Pollution Modeling and Its Application XII. Springer US, 1998. http://dx.doi.org/10.1007/978-1-4757-9128-0_47.

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Michou, M., F. Brocheton, A. Dufour, and V. H. Peuch. "Surface Exchanges in the Multiscale Chemistry and Transport Model MOCAGE." In Air Pollution Modelling and Simulation. Springer Berlin Heidelberg, 2002. http://dx.doi.org/10.1007/978-3-662-04956-3_60.

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Alvarado, Matthew J., Kelley C. Barsanti, Serena H. Chung, Daniel A. Jaffe, and Charles T. Moore. "Smoke Chemistry." In Wildland Fire Smoke in the United States. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-030-87045-4_6.

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AbstractSmoke chemistry (i.e., chemical transformations taking place within smoke plumes) can alter the composition and toxicity of smoke on time scales from minutes to days. Air quality agencies need better information on and better models of smoke chemistry to more accurately characterize the contributions of smoke to ambient ozone and particulate matter, and to better predict good windows for prescribed burning. The ability of these agencies to quantify the contributions of wildland fires to air pollutants and the ability of forest and burn managers to both predict and mitigate these impacts are limited by how current models represent smoke chemistry. This limitation is interconnected with uncertainties in smoke emissions, plume dynamics, and long-range transport. Improving predictive models will require a combination of laboratory, field, and modeling studies focused on enhancing our knowledge of smoke chemistry, including when smoke interacts with anthropogenic emissions and enters indoors.
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Yang, Fubao, and Zeren Zhang. "Diffusion Metamaterials for Plasma Transport." In Diffusionics. Springer Nature Singapore, 2024. http://dx.doi.org/10.1007/978-981-97-0487-3_18.

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AbstractPlasma technology has found widespread applications in numerous domains, yet the techniques to manipulate plasma transport predominantly rely on magnetic control. In this chapter, we present a streamlined diffusion-migration method to characterize plasma transport. Based on this framework, the viability of the transformation theory for plasma transport is demonstrated. Highlighted within are three model devices designed to cloak, concentrate, and rotate plasmas without significantly altering the density profile of background plasmas. Additionally, insights regarding potential implications for novel physics are discussed. This chapter aims to contribute to advancements in plasma technology, especially in sectors like medicine and chemistry.
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Elbern, H., H. Schmidt, and A. Ebel. "Parallel 4D-Variational Data Assimilation for an Eulerian Chemistry Transport Model." In Large Scale Computations in Air Pollution Modelling. Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4570-1_12.

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Olaguer, Eduardo P. "An Efficient 3-D Model for Global Circulation, Transport and Chemistry." In The IMA Volumes in Mathematics and its Applications. Springer New York, 2002. http://dx.doi.org/10.1007/978-1-4757-3474-4_10.

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Actes de conférences sur le sujet "Chemistry and transport model"

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Hariri, Mohiedin Bagheri, Andre Anderko, and Ronald D. Springer. "Modeling the Chemistry of Corrosive Dropout in Dense-Phase CO2 Transport Systems Using the MSE Model." In CONFERENCE 2025. AMPP, 2025. https://doi.org/10.5006/c2025-00174.

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Abstract Experimental observations at the Institute for Energy Technology (IFE) have shown that certain impurities in CO2 streams (e.g., NO2, SO2, H2O, H2S, O2) can cause an acid condensation event, leading to potentially severe corrosion of transportation assets. The formation of such acidic phases is believed to be triggered by reaching a certain impurity limit. This can occur under difficult-to-predict conditions, which commonly used thermodynamic frameworks cannot predict. The solubility of impurities in CO2-rich phases is intricately influenced by temperature and pressure, and it changes
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Sridhar, N., D. S. Dunn, and M. Seth. "Application of a General Reactive Transport Model to Predict Environment under Disbonded Coatings." In CORROSION 2000. NACE International, 2000. https://doi.org/10.5006/c2000-00366.

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Abstract Understanding the evolution of the chemical environment and potential inside a disbonded region is essential to a quantitative risk assessment of corrosion and stress corrosion cracking of pipelines. A general reactive transport model is presented in this paper that enables calculation of the time evolution of chemistry and potential under disbonded coating with an applied cathodic potential. The model predictions are compared to a variety of experimental observations reported in the literature. It is shown that the predicted pH is the result of competing anodic dissolution and cathod
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Banweg, A., N. J. Mravich, and F. J. Pocock. "Chemistry Guidelines for Cycling Service of Fossil Power Plants." In CORROSION 1989. NACE International, 1989. https://doi.org/10.5006/c1989-89069.

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Abstract Many of the existing fossil-fired utility boilers in the U.S. are. going into the cycling mode of operation (load cycling, on-off cycling, etc.). Corrosion protection for the pressure part components of these boilers relies on the proper control of the waterside environment, which has greater demands put upon it by the cycling mode of operation than the base loaded operation. Specific recommendations will be made to minimize out-of-service corrosion, operational dissolved oxygen attack, and corrosion product transport.
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Engelhardt, G. R., and D. D. Macdonald. "Modeling of Corrosion Fatigue Chemistry in Sensitized Stainless Steel in Boiling Water Reactor Environments." In CORROSION 2000. NACE International, 2000. https://doi.org/10.5006/c2000-00227.

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Abstract A simplified method is proposed for modeling the chemistry and potential distribution in a corrosion fatigue crack in sensitized stainless steel in boiling water reactor (BWR) coolant environments. Mass transport by diffusion, ion migration and convection due to movement of crack walls was considered. Anodic and cathodic processes, hydrolysis, oxide solubility, and water dissociation have been included in the model. The model takes into account transport processes in the external environment and recognizes that the specific rate (rate per unit area) of metal dissolution at the crack t
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Turnbull, Alan. "Environment Assisted Cracking of Steam Turbine Steels - Modelling of Crack Chemistry." In CORROSION 2001. NACE International, 2001. https://doi.org/10.5006/c2001-01237.

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Abstract A mathematical model has been developed to predict the chemistry and electrochemistry in a crack in a steam turbine disc steel exposed to an external environment of low conductivity water of varying pH and chloride concentration. The model incorporates mass transport by diffusion and ion migration, anodic and cathodic reactions in the crack, hydrolysis reactions in solution, and precipitation of ferrous hydroxide. The potential drop external to the crack was also evaluated with attention given to the influence of a condensate layer. The compression of the field lines to a thin liquid
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Pots, B. F. M. "Mechanistic Models for the Prediction of CO2 Corrosion Rates under Multi-phase Flow Conditions." In CORROSION 1995. NACE International, 1995. https://doi.org/10.5006/c1995-95137.

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Abstract A methodology for CO2 corrosion rate prediction is presented which is based on mechanistic modelling. The effect of fluid flow is included, which hitherto often has been ignored. Examples of corrosion models shown are a simple Limiting Corrosion Rate (LCR) model and a more advanced numerical model. The former is based on mass transport considerations, whereas the latter also includes reaction chemistry and electro-chemistry. Linking of corrosion rate predictive models with models for gas/liquid multi-phase flow is dealt with. The (LCR) model provides a theoretical upper limit for the
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Macdonald, Digby D., and Mima Urquidi-Macdonald. "A Deterministic Method for Predicting Crack Growth Rates in LWR Heat Transport Circuits." In CORROSION 1992. NACE International, 1992. https://doi.org/10.5006/c1992-92087.

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Abstract Our previously described coupled environment fracture model (CEFM) for intergrannular stress corrosion cracking (IGSCC) and irradiation-assisted stress corrosion cracking (IASCC) in light water reactor heat transport circuit components has been extended to consider steel corrosion, oxidation of hydrogen, and the reduction of hydrogen peroxide, in addition to the reduction of oxygen (as in the original CEFM), as charge transfer reactions occurring on the external surfaces. The model invokes charge conservation as the principal condition that must be satisfied during crack growth and pr
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Song, Fengmei. "A Model Developed to Predict the Internal Corrosion Rates of Wet and Dry Gas Pipelines." In CORROSION 2011. NACE International, 2011. https://doi.org/10.5006/c2011-11304.

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Abstract A comprehensive mathematical model is developed to predict internal corrosion rates in pipelines that carry wet or dry natural gas. A significant difference in corrosion between the two types of gas pipelines is that for dry gas pipelines, a thin stagnant solution layer due to water condensation may be sitting on the pipe surface and can quickly go saturated. A precipitate film then forms and thickens over time, which reduces the corrosion rate. In wet gas pipelines, water may be constantly present on the pipe surface and the bulk solution chemistry may not change over time. Due to co
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Engelhardt, G. R., and D. D. Macdonald. "Modeling Corrosion Fatigue Crack Propagation." In CORROSION 2001. NACE International, 2001. https://doi.org/10.5006/c2001-01115.

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Abstract A mathematical model is proposed for modeling the chemistry and the potential distribution in a corrosion fatigue crack, along with the crack propagation rate, in sensitized stainless steel in boiling water reactor (BWR) coolant environments. Mass transport by diffusion, ion migration, and convection (due to movement of crack walls) was considered. Anodic and cathodic processes, hydrolysis, oxide solubility, and water dissociation are included in the model. The model takes into account oxygen transport and depletion in the crack and transport processes in the external environment, and
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Jones, Michael, Gregory de Boer, Richard Woollam, Joshua Owen, and Richard Barker. "Numerical Exploration of a Comprehensive Mechanistic CO2 Corrosion Model Part II: Influence of Hydrodynamics and Bulk pH." In CONFERENCE 2023. AMPP, 2023. https://doi.org/10.5006/c2023-19305.

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Abstract In part two of this two-part series, we further explore the comprehensive mechanistic CO2 corrosion model developed in part one by examining how the changing hydrodynamics influence the system at various bulk pHs. Parametric studies are conducted over the model over an extensive range of fluid velocities, pipe diameters, and bulk pH values. Contour plots are produced showing the variation in key outputs, including the boundary layer properties, corrosion rate, surface pH, and surface saturation ratio with respect to iron carbonate (FeCO3). Changes to the behavior of the system were fo
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Rapports d'organisations sur le sujet "Chemistry and transport model"

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Atherton, C. S. Predicting tropospheric ozone and hydroxyl radical in a global, three-dimensional, chemistry, transport, and deposition model. Office of Scientific and Technical Information (OSTI), 1995. http://dx.doi.org/10.2172/130611.

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LeGrand, Sandra, Christopher Polashenski, Theodore Letcher, Glenn Creighton, Steven Peckham, and Jeffrey Cetola. The AFWA dust emission scheme for the GOCART aerosol model in WRF-Chem v3.8.1. Engineer Research and Development Center (U.S.), 2021. http://dx.doi.org/10.21079/11681/41560.

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Airborne particles of mineral dust play a key role in Earth’s climate system and affect human activities around the globe. The numerical weather modeling community has undertaken considerable efforts to accurately forecast these dust emissions. Here, for the first time in the literature, we thoroughly describe and document the Air Force Weather Agency (AFWA) dust emission scheme for the Georgia Institute of Technology–Goddard Global Ozone Chemistry Aerosol Radiation and Transport (GOCART) aerosol model within the Weather Research and Forecasting model with chemistry (WRF-Chem) and compare it t
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Schutt, Timothy, and Manoj Shukla. Predicting the impact of aqueous ions on fate and transport of munition compounds. Engineer Research and Development Center (U.S.), 2021. http://dx.doi.org/10.21079/11681/41481.

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A model framework for natural water has been developed using computational chemistry techniques to elucidate the interactions between solvated munition compounds and eight common ions in naturally occurring water sources. The interaction energies, residence times, coordination statistics, and surface preferences of nine munition related compounds with each ion were evaluated. The propensity of these interactions to increase degradation of the munition compound was predicted using accelerated replica QM/MM simulations. The degradation prediction data qualitatively align with previous quantum me
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MacKinnon, R. J., T. M. Sullivan, and R. R. Kinsey. BLT-EC (Breach, Leach and Transport-Equilibrium Chemistry) data input guide. A computer model for simulating release and coupled geochemical transport of contaminants from a subsurface disposal facility. Office of Scientific and Technical Information (OSTI), 1997. http://dx.doi.org/10.2172/491476.

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MacKinnon, R. J., T. M. Sullivan, S. A. Simonson, and C. J. Suen. BLT-EC (Breach, Leach Transport, and Equilibrium Chemistry), a finite-element model for assessing the release of radionuclides from low-level waste disposal units: Background, theory, and model description. Office of Scientific and Technical Information (OSTI), 1995. http://dx.doi.org/10.2172/108216.

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Michaels, Michelle, Theodore Letcher, Sandra LeGrand, Nicholas Webb, and Justin Putnam. Implementation of an albedo-based drag partition into the WRF-Chem v4.1 AFWA dust emission module. Engineer Research and Development Center (U.S.), 2021. http://dx.doi.org/10.21079/11681/42782.

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Employing numerical prediction models can be a powerful tool for forecasting air quality and visibility hazards related to dust events. However, these numerical models are sensitive to surface conditions. Roughness features (e.g., rocks, vegetation, furrows, etc.) that shelter or attenuate wind flow over the soil surface affect the magnitude and spatial distribution of dust emission. To aide in simulating the emission phase of dust transport, we used a previously published albedo-based drag partition parameterization to better represent the component of wind friction speed affecting the immedi
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LeGrand, Sandra, Theodore Letcher, Gregory Okin, et al. Application of a satellite-retrieved sheltering parameterization (v1.0) for dust event simulation with WRF-Chem v4.1. Engineer Research and Development Center (U.S.), 2023. http://dx.doi.org/10.21079/11681/47116.

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Employing numerical prediction models can be a powerful tool for forecasting air quality and visibility hazards related to dust events. However, these numerical models are sensitive to surface conditions. Roughness features (e.g., rocks, vegetation, furrows, etc.) that shelter or attenuate wind flow over the soil surface affect the magnitude and spatial distribution of dust emission. To aide in simulating the emission phase of dust transport, we used a previously published albedo-based drag partition parameterization to better represent the component of wind friction speed affecting the immedi
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Dudley, Lynn M., Uri Shani, and Moshe Shenker. Modeling Plant Response to Deficit Irrigation with Saline Water: Separating the Effects of Water and Salt Stress in the Root Uptake Function. United States Department of Agriculture, 2003. http://dx.doi.org/10.32747/2003.7586468.bard.

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Standard salinity management theory, derived from blending thermodynamic and semi- empirical considerations leads to an erroneous perception regarding compensative interaction among salinity stress factors. The current approach treats matric and osmotic components of soil water potential separately and then combines their effects to compute overall response. With deficit water a severe yield decrease is expected under high salinity, yet little or no reduction is predicted for excess irrigation, irrespective of salinity level. Similarly, considerations of competition between chloride and nitrat
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Sridhar and Dunn. L51793 The Effects of Water Chemistry on Internal Corrosion of Steel Pipelines. Pipeline Research Council International, Inc. (PRCI), 2000. http://dx.doi.org/10.55274/r0010425.

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The ability to safely transport wet, untreated natural gases through pipelines offshore or at other inaccessible locations is an important factor in the development of new gas fields. The internal corrosion rate of steel pipelines varies in a complex way with the gas composition, specifically CO2 , O2 , and H2 S, and condensed water chemistry. Estimating the corrosion rate of steel at inaccessible locations from the analysis of the gas and water composition from an accessible location will enable a better determination of the need for corrosion inhibitors. Quantitative understanding of the cor
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Montville, Thomas J., and Roni Shapira. Molecular Engineering of Pediocin A to Establish Structure/Function Relationships for Mechanistic Control of Foodborne Pathogens. United States Department of Agriculture, 1993. http://dx.doi.org/10.32747/1993.7568088.bard.

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This project relates the structure of the bacteriocin molecule (which is genetically determined) to its antimicrobial function. We have sequenced the 19,542 bp pediocin plasmid pMD136 and developed a genetic transfer system for pediococci. The pediocin A operon is complex, containing putative structural, immunity, processing, and transport genes. The deduced sequence of the pediocin A molecule contains 44 amino acids and has a predicted PI of 9.45. Mechanistic studies compared the interaction of pediocin PA-1 and nisin with Listeria monocytgenes cells and model lipid systems. While significant
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