CFD analysis of premixed methane chlorination reactors with detailed chemistry

Industrial and Engineering Chemistry Research

Volumn 40, Issue 23, 2001, Pages 5170-5176

  Raman, Venkatramanan ^a   Fox, Rodney O ^a   Harvey, Albert D ^b   West, David H ^b  

^a Iowa State University of Science and Technology   (United States)

^b DOW CHEMICAL COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL REACTORS; CHLORINATION; COMPUTER SIMULATION; METHANE; PROBABILITY DENSITY FUNCTION;

PAIR-WISE MIXING STIRRED REACTOR (PMSR) MODELS; TABULATION ALGORITHMS;

COMPUTATIONAL FLUID DYNAMICS;

METHANE;

CHEMICAL REACTOR; CHLORINATION; COMPUTATIONAL FLUID DYNAMICS; DESIGN; METHANE; PROBABILITY DENSITY FUNCTION;

ACCURACY; ALGORITHM; CALCULATION; CHEMICAL ANALYSIS; CHLORINATION; CONFERENCE PAPER; DENSITY; FLOW KINETICS; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR STABILITY; REACTION ANALYSIS; SIMULATION; TEMPERATURE;

EID: 0034747279     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie001033q     Document Type: Conference Paper

References (13)

1. Wiseman, P. An Introduction to Industrial Organic Chemistry, 1st ed.; Wiley: New York, 1972.
2. Reed, D. J. Encyclopedia of Chemical Technology, 4th ed.; Kroschwitz, J. I., Executive Ed., Howe-Grant, M., Ed.; Wiley: New York, 1991.
3. Tirtowidjo, M. Fundamental Kinetic Modeling of Industrial Reactors. AIChE Annual Meeting, Los Angeles, CA, Nov 1997; Paper 78b.
4. Deutschmann, O.; Schmidt, L. D. Modeling the Partial Oxidation of Methane in a Short-Contact-Time Reactor. AIChE J. 1998, 44, 2465.
5. Kolhapure, N.; Fox, R. O. CFD Analysis of Micromixing Effects on Polymerization in Tubular Low-Density Polyethylene Reactors. Chem. Eng. Sci. 1999, 54, 3233.
6. Tsai, K.; Fox, R. O. PDF Modeling of Turbulent-Mixing Effects on Initiator Efficiency in a Tubular LDPE Reactor. AIChE J. 1996, 42, 2926.
7. Acharya, S.; Jang, D. S.; West, D. H.; Hebert, L. A. A Moment Closure Method for Modeling a Multistep Chlorination Reaction, AIChE Spring National Meeting, Houston, TX, March 1991; Paper 33a.
8. Pope, S. B. PDF Methods for Turbulent Reactive Flows. Prog. Energy Combust. Sci. 1985, 11, 119.
9. Yang, B.; Pope, S. B. An Investigation of the Accuracy of Manifold Methods and Splitting Schemes in the Computational Implementation of Combustion Chemistry. Combust. Flame 1998, 112, 16.
10. Pope, S. B. Computationally Efficient Implementation of Combustion Chemistry Using In Situ Adaptive Tabulation. Combust. Theory Modell. 1997, 1, 41.
11. Shah, J. J.; Fox, R. O. Computational Fluid Dynamics Simulation of Chemical Reactors: Application of In Situ Adaptive Tabulation to Methane Thermochlorination Chemistry. Ind. Eng. Chem. Res. 1999, 38, 4200.
12. West, D. H.; Hebert, L. A.; Pividal, K A. Detection of Quenching and Instability in Industrial Chlorination Reactors, Fall National AIChE Meeting, Dallas, TX, Nov 1999.
13. Mobus, H.; Gerlinger, P.; Bruggemann, D. Comparison of Eulerian and Lagrangian Monte Carlo PDF Methods for Turbulent Diffusion Flames. Combust. Flame 2001, 124, 519