Progress in chemistry modelling for vapour and aerosol transport analyses
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Matthew H. Kaye
Abstract
The ASTEC/Sophaeros computer code has been developed to model transport of reactive gases and aerosols in pipe flows with extensive coverage of chemical and physical phenomena. As part of the ASTEC severe-accident code co-developed by IRSN in France and GRS (Gesellschaft für Anlagen- und Reaktorsicherheit) in Germany, it is principally used to evaluate so-called radioactive source terms released to the environment in the event of potential accidents affecting water-cooled nuclear reactors. A major uncertainty in the past concerned the impact of chemistry on radioactivity transfer where the treatment of chemical phenomena was recognized as inadequate. Work described here, involving mainly systematic identification of relevant species and thermodynamic- data verification, has vastly improved this situation leading in particular to creation of a comprehensive database with fully-referenced sources of information. Further prospective improvements in this area are described.
References
[1] A.M.Beard, I.R.Beattie, C.G.Benson, P.J.Bennett, B.R.Bowsher, J.Brunning, L.Codron, N.E.Freemantle, M.A.Mignanelli, M.S.Newland, A.R.Stansbury: Report EUR 15766/1 EN, Commission of the European Communities (1994).Suche in Google Scholar
[2] M.Schwarz, A.Arnaud, B.Clément, P.Von der Hardt: Int. Conf. on Severe Accident Risk Management, Piest'any, Slovakia, June 1997, VÚJE Trnava Inc. (1998) [CD-ROM].Suche in Google Scholar
[3] B.Clément, N.Hanniet-Girault, G.Repetto, D.Jacquemain, A.V.Jones, M.P.Kissane, P.Von der Hardt: Nucl. Eng. Des.226 (2003) 5.10.1016/S0029-5493(03)00157-2Suche in Google Scholar
[4] M.P.Kissane, M.Missirlian, I.Drosik: J. Aerosol Sci.29(suppl. 2) (1998) S1179.10.1016/S0021-8502(98)90772-8Suche in Google Scholar
[5] M.P.Kissane, I.Drosik: Nucl. Eng. Des.236 (2006) 1210.10.1016/j.nucengdes.2005.10.012Suche in Google Scholar
[6] J.P.Van Dorsselaere, P.Giordano, M.P.Kissane, B.Schwinges, S.Ganju, L.Dickson: 6th Int. Conf. on Simulation Methods in Nuclear Engineering, Montreal, Canada, 12–15 Oct. 2004, ISBN 0-919784-80-1, Canadian Nuclear Society (2004) [CD-ROM].Suche in Google Scholar
[7] M.Cranga, J.L.Cheissoux, J.C.Latché: PSA/PRA and Severe Accidents Conference, Nuclear Society of Slovenia, Ljubljana, Slovenia, (1994), 382.Suche in Google Scholar
[8] M.Missirlian, M.P.Kissane, B.Schmitz: Proc. OECD/AEN Specialist Meeting on Nuclear Aerosols in Reactor Safety, Cologne, Germany, June 1998, OECD report NEA/CSNI/R (98)4 (2000).Suche in Google Scholar
[9] N.Alpy, M.P.Kissane, I.Drosik, C.Fiche, M.H.Kaye: 8th Int. Conf. on CANDU Fuel, Honey Harbour, Ontario, Sept. 2003, ISBN 0-919784-77-1, Canadian Nuclear Society (2003) [CD-ROM].Suche in Google Scholar
[10] F.Cousin, K.Dieschbourg, F.Jacq: Nucl. Eng. Des.238 (2008) 2430.10.1016/j.nucengdes.2008.03.018Suche in Google Scholar
[11] M.R.Kuhlman, V.Kogan, P.M.Schumacher: US NRC Report NUREG/CR-4677 (1986). H.Jordan and M.R.Kuhlman: TRAPMELT User's Manual, NUREG/CR-4205 (BMI-2124), Battelle Columbus Laboratories (1985).Suche in Google Scholar
[12] M.Silberberg, J.A.Mitchell, R.O.Meyer, W.F.Pasedag, C.P.Ryder, C.A.Peabody, M.W.Jankowski: US NRC report NUREG-0956 (1986).Suche in Google Scholar
[13] NAP: Report of a workshop chaired by J.L. Margrave.National Academy Press, Washington D.C., USA (1988).Suche in Google Scholar
[14] K.H.Im, R.K.Ahluwalia, H.C.Lin: Argonne National Laboratory report NP-5287-CCM (1987).Suche in Google Scholar
[15] M.P.Kissane: Proc. OECD(NEA)-CEC Workshop, Brussels, Sept 1987, report CEC EUR11351 (1987).Suche in Google Scholar
[16] F.Parozzi: European Aerosol Conference, Karlsruhe (D), September 1991, J. Aerosol Sci. 22 (Suppl. 1) (1991) 751.10.1016/S0021-8502(05)80209-5Suche in Google Scholar
[17] M.Cranga: AIChE Symposium Series88 (1992) 295.Suche in Google Scholar
[18] T.J.Heames, D.A.Williams, et al.: US NRC report NUREG/CR-5545 and SAND90-0756, Rev. 1 (1992).Suche in Google Scholar
[19] D.A.Williams: OECD report NEA/CSNI/R (94)27 (1994).Suche in Google Scholar
[20] N.E.Bixler: US NRC report NUREG/CR-6131 (1998).Suche in Google Scholar
[21] M.Kajimoto, K.Muramatsu, N.Watanabe: Proc. Int. Topical Mtg. on Safety of Thermal Reactors, Portland, Oregon, 21–25 July1991 (1991) 584.Suche in Google Scholar
[22] R.O.Gauntt, R.K.Cole, C.M.Erickson, R.G.Gido, et al.: US NRC report NUREG/CR-6119, Vol. 2 Rev. 2 (2000).Suche in Google Scholar
[23] F.Jacq, G.Lajtha: Technical Note SEMAR 95/33, Institut de Radioprotection et de Sûreté Nucléaire (1995).Suche in Google Scholar
[24] B.Xerri, S.Canneaux, L.Cantrel, F.Louis, A.El Bakali, J.F.Pauwels: XIème Rencontre des Chimistes Théoriciens Francophones (11th Encounter of French-speaking Theoretical Chemists), 30 June – 4 July 2008, Dinard, France (2008) [in French].Suche in Google Scholar
[25] B.Cheynet, A.Rivet, E.Fisher: COACH Version 1.0, computer aided chemistry, THERMODATA/INPG/CNRS, Grenoble, France (1992).Suche in Google Scholar
[26] P.K.Mason, M.P.Kissane: 10th Int. Symp. on Thermodynamics of Nuclear Materials, Halifax, Nova Scotia, Aug. 2000 (and IRSN Technical Note SEMAR 00/108) (2000).Suche in Google Scholar
[27] L.Bornstein: Numerical data and functional relationships in science and technology, Group IV: physical chemistry, Volume 1: thermodynamic properties of inorganic materials compiled by SGTE, Subvolume A, Pure substances, Springer (1999).Suche in Google Scholar
[28] AEA Technology: NUCLMAT version 2.0: thermodynamic pure substance database for nuclear materials, AEA Technology plc., UK (1999).Suche in Google Scholar
[29] L.V.Gurvich, I.V.Veyts, C.B.Alcock: Thermodynamic Properties of Individual Substances – 4th edition, Vols. 1, 2, and 3 (1989).Suche in Google Scholar
[30] E.H.P.Cordfunke, R.J.M.Konings: Thermochemical Data for Reactor Materials and Fission Products, Elsevier Science Publishers, Amsterdam (1990).Suche in Google Scholar
[31] R.Hultgren, P.R.Desai, D.T.Hawkins, M.Gleiser, K.K.Kelley, D.D.Wagman: Selected Values of the Thermodynamic Properties of the Elements (a) and of the Binary Alloys (b), American Society for Metals, Metals Park, Ohio (1973).Suche in Google Scholar
[32] JANAF Thermochemical Tables, US Department of Commerce, National Bureau of Standards/Institute for Applied Technology, Washington, D.C. (June 1971, supplements 1974, 1975).Suche in Google Scholar
[33] M.W.Chase, Jr., C.A.Davies, J.R.Downey, Jr., D.J.Frurip, R.A.McDonald, A.N.Syverud: JANAF Thermochemical Tables: 3rd Edition, J. Phys. and Chem. Ref. Data, Vol. 14 (suppl. 1), National Bureau of Standards, US Department of Commerce, Washington (1985).Suche in Google Scholar
[34] M.W.Chase, Jr.: NIST-JANAF Thermochemical Tables: 4th Edition, J. Phys. and Chem. Ref. Data, Monograph no. 9, National Bureau of Standards, US Department of Commerce, Washington (1998).Suche in Google Scholar
[35] I.Barin, O.Knacke, O.Kubaschewski: Thermochemical Properties of Inorganic Substances, Springer-Verlag, Berlin (1973 and Supplement 1977).10.1007/978-3-662-02293-1Suche in Google Scholar
[36] I.Barin: Thermochemical Data of Pure Substances, VCH, Weinheim (1989).Suche in Google Scholar
[37] H.Kleykamp: J. Nucl. Mat., 131 (1985) 221–246.10.1016/0022-3115(85)90460-XSuche in Google Scholar
© 2010, Carl Hanser Verlag, München
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Artikel in diesem Heft
- Basic
- High-temperature in-situ microscopy during stress-induced phase transformations in Co49Ni21Ga30 shape memory alloy single crystals
- Contents
- contents
- Editorial
- Editorial December 2010
- Basic
- Atomic mobilities and diffusivities in the fcc, L12 and B2 phases of the Ni-Al system
- Experimental investigation of the Zn–Fe–V system at 450°C
- Time resolved X-ray imaging of eutectic cellular patterns evolving during solidification of ternary Al–Cu–Ag alloys
- Reassessment of the Mg–Ge binary system using CALPHAD supported by first-principles calculation
- A quantitative modeling of the unloading behavior of metals during a tensile test
- A technique for diameter enlargement in SiC crystal growth
- Applied
- Thermal and chemical stability of Cr2AlC in contact with α-Al2O3 and NiAl
- Microstructure and mechanical properties of Zn25Al3Cu based composites with large Al2O3 particles at room and elevated temperatures
- An investigation on Incoloy800-SS304 clad plate by explosive welding
- Effect of grain boundary precipitates on vibration damping of FeüCrüMgüAl/Si alloy
- Adsorption of metal ions on magnetic carbon nanomaterials bearing chitosan-functionalized silica
- Tensile and in-vitro degradation study of electro spun fibrous mat produced from eri silk fibroin
- Study of the influence of UV-irradiation on the photodegradation of plasticized poly(para-tert-butylstyrene) films
- Enhanced photocatalytic activity of beryllium doped titania in visible light on the degradation of methyl orange dye
- Progress in chemistry modelling for vapour and aerosol transport analyses
- DGM News
- Personal
