Change search
ReferencesLink to record
Permanent link

Direct link
Oxidation of Graphite and Metallurgical Coke: A Numerical Study with an Experimental Approach
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. (Tillämpad processmetallurgi)
2016 (English)Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
Abstract [en]

At the royal institute of technology (KTH) in the department of applied process metallurgy, a novel modelling approach has been developed which allows a dynamic coupling between the commercial thermodynamic software Thermo-Calc and the commercial computational fluid dynamic (CFD) software Ansys Fluent, only referred to as Fluent in the study. The dynamic coupling approach is used to provide numerical CFD-models with thermodynamic data for the thermo-physical properties and for the fluid-fluid chemical reactions occurring in metallurgical processes. The main assumption forthe dynamic coupling approach is the existence of local equilibrium in each computational cell. By assuming local equilibrium in each computational cell it is possible to use thermodynamic data from thermodynamic databases instead of kinetic data to numerically simulate chemical reactions. The dynamic coupling approach has been used by previous studies to numerically simulate chemical reactions in metallurgical processes with good results. In order to validate the dynamic coupling approach further, experimental data is required regarding surface reactions. In this study, a graphiteand metallurgical coke oxidation experimental setup was suggested in order to provide the needed experimental data. With the experimental data, the ability of the dynamic couplings approach to numerically predict the outcome of surface reactions can be tested.By reviewing the literature, the main experimental apparatus suggested for the oxidationexperiments was a thermo-gravimetric analyzer (TGA). The TGA can provide experimental data regarding the reaction rate, kinetic parameters and mass loss as a function of both temperature and time. An experimental setup and procedure were also suggested.In order to test the ability of Fluent to numerically predict the outcome of surface reactions, without any implementation of thermodynamic data from Thermo-Calc, a benchmarking has been conducted. Fluent is benchmarked against graphite oxidation experiments conducted by Kim and No from the Korean advanced institute of science and technology (KAIST). The experimental graphite oxidation rates were compared with the numerically calculated graphite oxidation rates obtained from Fluent. A good match between the experimental graphite oxidation rates and the numerically calculated graphite oxidation rates were obtained. A parameter study was also conducted in order to study the effect of mass diffusion, gas flow rate and the kinetic parameters on the numerically calculated graphite oxidation rate. The results of the parameter study were partially supported by previous graphite oxidation studies. Thus, Fluent proved to be a sufficient numerical tool for numerically predicting the outcome of surface reactions regarding graphite oxidation at zero burn-off degree.

Place, publisher, year, edition, pages
2016. , 60 p.
Keyword [en]
Graphite oxidation rate, CFD, Dynamic coupling, Fluent, TGA
National Category
Metallurgy and Metallic Materials
URN: urn:nbn:se:kth:diva-193604OAI: diva2:1033035
Educational program
Master of Science in Engineering - Materials Design and Engineering
Available from: 2016-10-12 Created: 2016-10-05 Last updated: 2016-10-12Bibliographically approved

Open Access in DiVA

fulltext(1981 kB)14 downloads
File information
File name FULLTEXT01.pdfFile size 1981 kBChecksum SHA-512
Type fulltextMimetype application/pdf

Search in DiVA

By author/editor
Ahmad, Yousef
By organisation
Materials Science and Engineering
Metallurgy and Metallic Materials

Search outside of DiVA

GoogleGoogle Scholar
Total: 14 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Total: 53 hits
ReferencesLink to record
Permanent link

Direct link