A set of Jupyter notebooks for the analysis of transport phenomena and reaction in porous catalyst pellet

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1 Citation (Scopus)

Abstract

A set of user friendly Jupyter notebooks was developed to illustrate the techniques used to solve mass and heat balances for chemical and enzyme catalyzed reactions in a porous pellet. The advanced model of chemical vapor deposition reaction in an agglomerate of fine particles was considered as an example of non-catalytic reactions. The developed notebooks combine the theoretical description of model equations, numerical algorithms, the computer code, and results of simulations with graphs. The computer code can be easily modified to suit user's research needs. This particular software helps students to learn the theoretical basis of mathematical models used for chemical reactions in the porous media while acquiring the practical skills in applying these models for various important reactions.

Original languageEnglish
JournalComputer Applications in Engineering Education
DOIs
Publication statusAccepted/In press - Jan 1 2019

Fingerprint

Catalysts
Porous materials
Chemical reactions
Chemical vapor deposition
user research
Enzymes
Mathematical models
Students
heat
simulation
student
Hot Temperature

Keywords

  • catalytic reactions
  • IPython software
  • mass and heat transfer
  • modeling
  • non-catalytic and biochemical reactions
  • porous media

ASJC Scopus subject areas

  • Computer Science(all)
  • Education
  • Engineering(all)

Cite this

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abstract = "A set of user friendly Jupyter notebooks was developed to illustrate the techniques used to solve mass and heat balances for chemical and enzyme catalyzed reactions in a porous pellet. The advanced model of chemical vapor deposition reaction in an agglomerate of fine particles was considered as an example of non-catalytic reactions. The developed notebooks combine the theoretical description of model equations, numerical algorithms, the computer code, and results of simulations with graphs. The computer code can be easily modified to suit user's research needs. This particular software helps students to learn the theoretical basis of mathematical models used for chemical reactions in the porous media while acquiring the practical skills in applying these models for various important reactions.",
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