Understanding the reaction of nuclear graphite with molecular oxygen: Kinetics, transport, and structural evolution
Source abstract
Abstract
Abstract For the next generation of nuclear reactors, HTGRs specifically, an unlikely air ingress warrants inclusion in the license applications of many international regulators. Much research on oxidation rates of various graphite grades under a number of conditions has been undertaken to address such an event. However, consequences to the reactor result from the microstructural changes to the graphite rather than directly from oxidation. The microstructure is inherent to a graphite's properties and ultimately degradation to the graphite's performance must be determined to establish the safety of reactor design. To understand the oxidation induced microstructural change and its corresponding impact on performance, a thorough understanding of the reaction system is needed. This article provides a thorough review of the graphite-molecular oxygen reaction in terms of kinetics, mass and energy transport, and structural evolution: all three play a significant role in the observed rate of graphite oxidation. These provide the foundations of a microstructurally informed model for the graphite-molecular oxygen reaction system, a model kinetically independent of graphite grade, and capable of describing both the observed and local oxidation rates under a wide range of conditions applicable to air-ingress.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Graphite, nuclear technology, radiation studies · Radioactive element chemistry and processing · Nuclear Materials and Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (100+)
Show source-provided references
1. 2016 · 1
2. The status of the US high-temperature gas reactors10.1016/J.ENG.2016.01.026 ↗
3. Petti · 2016
4. Windes · 2014
5. Phenomenology of graphite burning in air ingress accidents of HTRs10.1155/2011/589747 ↗
6. Oh · 2011
7. Schultz · 2008
8. Levenspiel · 1999
9. Levenspiel · 2002
10. Effect of oxidizing environment on the strength of H451, PGX and IG-11 graphites10.1016/0008-6223(83)90169-0 ↗
11. The effect of oxidation on the compressive strength of graphite10.1016/0022-3115(65)90138-8 ↗
12. Fracture processes in graphite and the effects of oxidation10.1016/0008-6223(86)90142-9 ↗
13. Oxidation effects on toughness and slow crack growth in polycrystalline graphites10.1016/0008-6223(80)90059-7 ↗
14. Influence of oxidation on toughness parameters for two nuclear grade graphites
15. Contescu · 2010
16. Gas reactions of carbon
17. ASTM Standard D7219-08 · 2014
18. Carbon and graphite reactivity
19. The importance of active surface area in the carbon-oxygen reaction10.1021/j100804a016 ↗
20. On the chemical nature of graphene Edges: origin of stability and potential for magnetism in carbon materials10.1021/ja050124h ↗
21. Oxygen migration on the graphene surface. 2. Thermochemistry of basal-plane diffusion (hopping)10.1016/j.carbon.2011.05.037 ↗
22. First-principles kinetics of CO desorption from oxygen species on carbonaceous surface10.1021/jp0144294 ↗
23. Solid-state 13C NMR characterization of matched tars and chars from rapid coal devolatilization10.1016/S0082-0784(00)80642-6 ↗
24. Ab initio molecular orbital calculation on graphite: selection of molecular system and model chemistry10.1016/S0008-6223(98)00078-5 ↗
25. CO desorption from oxygen species on carbonaceous Surface: 1. Effects of the local structure of the active site and the surface coverage10.1021/jp010572l ↗
26. Comment on “an update on the carbon-oxygen reaction”10.1016/0008-6223(91)90049-O ↗
27. On the mechanism of nascent site deactivation in graphene10.1016/j.carbon.2011.04.046 ↗
28. Similarities and differences in O2 chemisorption on graphene nanoribbon vs. carbon nanotube10.1016/j.carbon.2011.10.028 ↗
29. An oxygen transfer model for high purity graphite oxidation10.1016/j.carbon.2013.02.053 ↗
30. Active sites in graphene and the mechanism of CO2 formation in carbon oxidation10.1021/ja904731q ↗
31. Reactions of modulated molecular beams with pyrolytic graphite. II oxidation of the prism plane10.1063/1.1677981 ↗
32. Role of the epoxy group in the heterogeneous CO2 evolution in carbon oxidation reactions10.1021/jp065701i ↗
33. Oxygen migration on the graphene surface. 1. Origin of epoxide groups10.1016/j.carbon.2011.05.059 ↗
34. Heterogeneous CO2 evolution from oxidation of aromatic carbon-based materials10.1021/jp903362g ↗
35. The effect of microstructure on air oxidation resistance of nuclear graphite10.1016/j.carbon.2012.01.040 ↗
36. A new surface oxygen complex on carbon: toward a unified mechanism for carbon gasification reactions10.1021/ie00023a054 ↗
37. Modelling the competition between annealing and oxidation in the carbon–oxygen reaction10.1016/j.carbon.2006.11.021 ↗
38. The influence of char surface oxidation on thermal annealing and loss of combustion reactivity10.1016/j.proci.2004.08.156 ↗
39. Carbon: an old but new material revisited10.1016/0008-6223(90)90001-F ↗
40. Reactivity of carbon: some current problems and trends10.1016/0008-6223(70)90001-1 ↗
41. An update on the carbon-oxygen reaction10.1016/0008-6223(91)90210-A ↗
42. A mass spectrometric study of the carbon-oxygen reaction—27 years later10.1016/0008-6223(91)90009-8 ↗
43. A study of carbon-oxygen surface complexes using O18 as a tracer10.1016/0008-6223(64)90029-6 ↗
44. Hart · 1966
45. Skokova · 1996
46. Simulation of carbon gasification kinetics using an edge recession model10.1002/aic.690390709 ↗
47. On the kinetics of carbon (Char) gasification: reconciling models with experiments10.1016/0008-6223(90)90087-F ↗
48. Comparison of the oxidation rate and degree of graphitization of selected IG and NBG nuclear graphite grades10.1016/j.jnucmat.2008.07.027 ↗
49. Oxidation experiments and theoretical examinations on graphite materials relevant for the PBMR10.1016/j.nucengdes.2008.02.013 ↗
50. Air oxidation behavior of carbon and graphite materials for HTGR
51. Experimental study on the oxidation of nuclear graphite and development of an oxidation model10.1016/j.jnucmat.2005.10.015 ↗
52. Estimation of graphite density and mechanical strength variation of VHTR during air-ingress accident10.1016/j.nucengdes.2007.08.002 ↗
53. Oxidation rate of nuclear-grade graphite NBG-18 in the kinetic regime for VHTR air ingress accident scenarios10.1016/j.jnucmat.2013.03.002 ↗
54. Oxidation rate of nuclear-grade graphite IG-110 in the kinetic regime for VHTR air ingress accident scenarios10.1016/j.jnucmat.2013.11.032 ↗
55. Kinetics and mechanisms of the reaction of air with nuclear grade graphites: IG-11010.1016/S0022-3115(96)00462-X ↗
56. Oxidation behaviour of an HTR fuel element matrix graphite in oxygen compared to a standard nuclear graphite10.1016/j.nucengdes.2003.11.001 ↗
57. Effect of temperature on graphite oxidation behavior10.1016/j.nucengdes.2003.11.004 ↗
58. Analysis of combustion kinetics of powdered nuclear graphite by using a nonisothermal thermogravimetric method10.1080/18811248.2006.9711238 ↗
59. Practical aspects for characterizing air oxidation of graphite10.1016/j.jnucmat.2008.07.020 ↗
60. Zigzag and armchair edges in graphene10.1016/j.carbon.2011.10.004 ↗
61. Density functional study of the chemisorption of O2 on the zig-zag surface of graphite10.1016/j.combustflame.2005.08.026 ↗
62. Selective etching of armchair edges in graphite10.1016/j.carbon.2013.01.018 ↗
63. Thomas · 1965
64. Studies on ultraclean carbon surfaces10.1016/0021-9797(70)90043-3 ↗
65. On the origin of power-law kinetics in carbon oxidation10.1016/j.proci.2004.08.131 ↗
66. Oxygen chemisorption effects on graphite thermoelectric power
67. The role of the surface complex in the kinetics of the reaction of oxygen with carbon10.1016/0008-6223(85)90087-9 ↗
68. O2 oxidation studies of the edge surface of graphite10.1016/0008-6223(85)90221-0 ↗
69. TPD and XPS studies of O2, CO2, and H2O adsorption on clean polycrystalline graphite10.1016/0008-6223(88)90149-2 ↗
70. Two examples of deterministic versus stochastic modeling of chemical reactions10.1021/ed080p1488 ↗
71. Oxyreactivity of carbon surface oxides10.1016/S0082-0784(00)80629-3 ↗
72. Activation energy distribution in temperature-programmed desorption: modeling and application to the soot oxygen system10.1021/ef00021a014 ↗
73. Semi-global intrinsic kinetics for char combustion modeling†10.1016/S0010-2180(01)00234-6 ↗
74. Development and validation of a model for the chemical kinetics of graphite oxidation10.1016/j.jnucmat.2011.01.129 ↗
75. Comparison of oxidation model predictions with gasification data of IG-110, IG-430 and NBG-25 nuclear graphite10.1016/j.jnucmat.2011.09.027 ↗
76. Chemical kinetics parameters and model validation for the gasification of PCEA nuclear graphite10.1016/j.jnucmat.2013.09.031 ↗
77. Eatherly · 2013 · 21
78. Evolution with heat treatment of crystallinity in carbons10.1016/0008-6223(95)00127-8 ↗
79. Fogler · 2006
80. Petersen · 1965
81. Cussler · 2009
82. Szekely · 1976
83. Satterfield · 1963
84. Hughes · 1984
85. Satterfield · 1969
86. Transport phenomena in wedge flows: pertubration solutions for small mass transfer rates ERRATA
87. Transport phenomena in wedge flows: perturbation solutions for small mass transfer rates10.1016/0017-9310(63)90109-1 ↗
88. Heat transfer and diffusion in wedge flows with rapid mass transfer10.1016/0017-9310(62)90191-6 ↗
89. Mass transfer through laminar boundary layers—6. Methods of evaluating the wall gradient (b'0/B) for similar solutions; some new values for zero main-stream pressure gradient10.1016/0017-9310(61)90047-3 ↗
90. Laminar boundary layer flow over a horizontal permeable flat plate
91. Bird · 2007
92. Reactions between carbon and oxygen10.1039/tf9514700164 ↗
93. Experimentelle ergebnisse uber die pimarreaktionen bei der kohlenstoffverbrennung
94. Sherwood number correlation for nuclear graphite gasification at high temperature10.1016/j.pnucene.2012.06.007 ↗
95. Interactions of CO, NOx and H2O under post-flame conditions10.1080/00102209508951936 ↗
96. Flow reactor studies and kinetic modeling of the H2/O2 reaction10.1002/(SICI)1097-4601(1999)31:2<113::AID-KIN5>3.0.CO;2-0 ↗
97. A comprehensive reaction mechanism for carbon monoxide/hydrogen/oxygen kinetics10.1080/00102209108951759 ↗
98. Kee · 2003 · 584
99. Effect of small concentrations of CO on rate of gasification of spectroscopic graphite in O210.1016/0008-6223(86)90103-X ↗
100. Recommendations for the characterisation of porous solids (Technical report)10.1351/pac199466081739 ↗