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Integrated procedure, using differential evolution optimization of rate parameters, for design of small and accurate multistep global chemical mechanisms

Shakeri, A ; Sharif University of Technology | 2018

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  1. Type of Document: Article
  2. DOI: 10.1021/acs.iecr.8b00144
  3. Publisher: American Chemical Society , 2018
  4. Abstract:
  5. Three-dimensional analysis of combustion chambers in industrial gas turbines suffers from lack of simple and accurate reduced mechanisms for oxidation of hydrocarbon fuels. Here, an integrated procedure is introduced based on a differential evolution optimization technique. The procedure is flexible and modular and allows optimization of many rate parameters of a multistep global mechanism based on many different combustion criteria and inlet or operational conditions. The procedure uses any selected chemical reactor model and any reference combustion mechanism provided. Sample design criteria used here are flame temperature, ignition delay time, and concentration of selected species, especially pollutants. Different low atmospheric pressures and high pressure combustion conditions are considered. Reactor models used here are zero and one-dimensional reactors of PSR, PFR, IGNITION, and PREMIX models. To show applicability and performance of the procedure, the algorithm is analyzed in detail during four different case studies. The first two cases consider application to methane, using a five-step global mechanism. Case 3 considers application of a 3-sep mechanism for simulation of propane oxidation, and finally kerosene oxidation via a 3-step mechanism to predict its transient behavior is studied in case 4. Many global, temporal and spatial combustion properties are studied, and it is shown that for most off-design conditions studied here, the relative error of the most significant performance parameters is below one percent. © 2018 American Chemical Society
  6. Keywords:
  7. Atmospheric pressure ; Evolutionary algorithms ; Gas fuel analysis ; Gas turbines ; Ignition ; Optimization ; Oxidation ; Chemical reactor models ; Differential evolution optimizations ; High-pressure combustion ; Industrial gas turbines ; Low atmospheric pressures ; One-dimensional reactors ; Operational conditions ; Three-dimensional analysis ; Combustion chambers
  8. Source: Industrial and Engineering Chemistry Research ; Volume 57, Issue 10 , March , 2018 , Pages 3530-3544 ; 08885885 (ISSN)
  9. URL: https://pubs.acs.org/doi/abs/10.1021/acs.iecr.8b00144