Development of simulator for bio-propylene synthesis process

Satoshi Taniguchi, Takao Ohmori, Mitsutaka Kawamura, Sho Kataoka, Takuji Yamamoto, Masaru Nakaiwa, Atsusi Takahashi, Tadahiro Fujitani

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


A process simulator was developed for the synthesis of bio-propylene from bio-ethanol with a zeolite catalyst by determining the reaction mechanism and the reaction rate constants that simulate the experimental data. The reaction mechanism thus determined consisted of 28 reactions involving 16 chemical species. The values of the reaction rate constants (the frequency factors and the activated energies) were determined by use of a genetic algorithm to solve the non-linear optimization problem of minimizing the differences between the simulated values and the experimental data. As a result, the behavior of experimental data, especially for the major species such as propylene and ethylene, was well explained by the output of the simulator developed in this work. Therefore, the simulator should be useful for optimizing the design and the operation of reactor in this process.

Original languageEnglish
Pages (from-to)126-131
Number of pages6
JournalKagaku Kogaku Ronbunshu
Issue number2
Publication statusPublished - 2013


  • Bio-ethanol
  • Genetic algorithm
  • Non-linear optimization
  • Propylene
  • Reaction rate constants


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