Computer-based simulation of high-temperature corrosion phenomena

Journal of the Brazilian Chemical Society

Krupp, Ulrich¹  Universität Siegen, Siegen, Germany¹  University of Applied Sciences¹  Christ, Hans-Jürgen¹  Trindade, Vicente Braz¹ 

关键词: thermodynamics and diffusion simulation;    oxidation;    nitridation;    carburization;    finite-difference method;   

DOI  :  10.1590/S0103-50532008000100022

学科分类：化学（综合）

来源: SciELO

【 摘 要 】

The aim of this paper is to introduce a computer simulation tool, which is designed for prediction of service-life of components operating under corrosive conditions such as carburization, oxidation and nitridation at high-temperature. Different classes of materials (low-Cr ferritic steels, austenitic steels and Ni-base superalloys) were exposed at temperatures between 550 ºC and 1000 ÂºC to different corrosive atmospheres (carburizing, oxidizing and nitriding). The tool for the prediction of internal/inwards corrosion processes at high-temperatures makes use of the numerical finite-difference technique to treat diffusional kinetics on the one hand and the concept of local equilibrium thermodynamics on the other hand. For this purpose, a link has been established between the numerical environment of MATLAB and the thermodynamic library ChemApp. Using this new tool, the kinetics of nitridation, oxidation and carburization processes were predicted numerically taking the materialÂ’s microstructure into consideration by distinguishing between precipitation along the grain boundaries and within the grain interior. Excellent agreement between experimental observations and simulation results revealed the high potential of the computer modeling for application to complex corrosion processes.

【 授权许可】

Unknown