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Generation, management and optimization of thermal cracking reaction network for hydrocarbons by Bond-Electron matrix

Najafi, H. R ; Sharif University of Technology | 2003

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  1. Type of Document: Article
  2. Publisher: Sharif University of Technology , 2003
  3. Abstract:
  4. In this paper, an object oriented method is developed for generation, optimization and management of a hydrocarbon (CxHy) pyrolysis reaction network using a Bond-Electron (BE) matrix. A computer program was developed using C++ language. This program can provide and generate a pyrolysis reaction network for a wide range of hydrocarbons, including alkanes, olefins, diolefins, cyclic and aromatic compounds, using the linear notation structure of the reactant species. Furthermore, the reaction patterns and pruning methods are considered and a new method is presented for identification of reactants and products. The structural identification of species contained in the network allows one to approximate the species and reactions thermochemical properties by group contribution or semiempirical quantum chemistry methods. The reaction network generated by this method can be used directly for simulation of thermal cracking reactions or as input for thermal cracking simulators such as REACT, CHEMKIN and KINALC
  5. Keywords:
  6. Hydrocarbon ; Thermal cracking ; Process control ; Optimization
  7. Source: Scientia Iranica ; Volume 10, Issue 3 , 2003 , Pages 322-328 ; 10263098 (ISSN)
  8. URL: http://scientiairanica.sharif.edu/article_2638.html