Iron carburization in CO‐H2‐He gases, Part II: Numerical model
Abstract
A numerical model for the carburization of iron in CO‐H2‐He mixtures was developed and compared with experimental data over the temperature range of 850°C–1150°C, CO partial pressures from 1% to 12%, and H2 partial pressures from 5% to 99%. The reaction mechanism was established on the basis of data input from recent quantum mechanical and molecular dynamics calculations as well as from rate constant estimates from kinetic and transition state theory. Sensitivity and reaction flux analyses were performed to identify the rate‐controlling and fastest reactions. Model predictions of carbon weight gain in iron samples versus time were compared with experimental data. The most sensitive reactions were refined by least‐squares fitting the model to the experiment. The resulting model can simulate and predict the trends of iron carburization in CO‐H2‐He‐CO2‐H2O mixtures for most conditions studied experimentally. Critical reactions and model parameters are identified for additional study to improve the model and understanding of the carburization mechanism. © 2009 Wiley Periodicals, Inc. Int J Chem Kinet 41: 337–348, 2009
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Mar 13, 2009
- Source ID
- 10.1002/kin.20406
Entities
People
- Richard A. Yetter
- Zhe Wang
Organizations
- Office of Naval Research
- United States Army Research Laboratory