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Title: Chemics-Reactors: A Preliminary Python Program for Implementing Network Models of Multiphase Reactors

Abstract

We discuss the design and implementation of a preliminary software package written in Python 3 that is intended to represent complex multiphase reactors as networks of ideal continuous stirred tank reactors. This software also implements statistical design of experiments, uncertainty quantification, and global sensitivity analysis. These advanced features can provide important qualitative and quantitative insights into the effect of operating conditions and model parameters on predicted reactor performance. We demonstrate the utility of the program by modeling the vapor phase catalytic upgrading of bio-oil in a bubbling fluidized bed reactor.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1465051
Report Number(s):
ORNL/TM-2017/748
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
22 GENERAL STUDIES OF NUCLEAR REACTORS; 97 MATHEMATICS AND COMPUTING

Citation Formats

Sutton, Jonathan E., Wiggins, Gavin, and Daw, C. Stuart. Chemics-Reactors: A Preliminary Python Program for Implementing Network Models of Multiphase Reactors. United States: N. p., 2018. Web. doi:10.2172/1465051.
Sutton, Jonathan E., Wiggins, Gavin, & Daw, C. Stuart. Chemics-Reactors: A Preliminary Python Program for Implementing Network Models of Multiphase Reactors. United States. doi:10.2172/1465051.
Sutton, Jonathan E., Wiggins, Gavin, and Daw, C. Stuart. Wed . "Chemics-Reactors: A Preliminary Python Program for Implementing Network Models of Multiphase Reactors". United States. doi:10.2172/1465051. https://www.osti.gov/servlets/purl/1465051.
@article{osti_1465051,
title = {Chemics-Reactors: A Preliminary Python Program for Implementing Network Models of Multiphase Reactors},
author = {Sutton, Jonathan E. and Wiggins, Gavin and Daw, C. Stuart},
abstractNote = {We discuss the design and implementation of a preliminary software package written in Python 3 that is intended to represent complex multiphase reactors as networks of ideal continuous stirred tank reactors. This software also implements statistical design of experiments, uncertainty quantification, and global sensitivity analysis. These advanced features can provide important qualitative and quantitative insights into the effect of operating conditions and model parameters on predicted reactor performance. We demonstrate the utility of the program by modeling the vapor phase catalytic upgrading of bio-oil in a bubbling fluidized bed reactor.},
doi = {10.2172/1465051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Aug 01 00:00:00 EDT 2018},
month = {Wed Aug 01 00:00:00 EDT 2018}
}

Technical Report:

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