## Abstract

This paper deals with the calculation of the Adiabatic Flame Temperature (AFT) for the combustion of gas mixtures in air with a variety of software packages and data sources. This will provide insight into how different mathematical software packages can be used as students proceed through their Chemical Engineering studies. The overall problem statement, needed data, useful equations and several solutions are given in an internet link.

At the Ben-Gurion University, first year students are required to take the introductory “Modelling and Computation” course where the mathematical software packages: POLYMATH (http://www.polymath-software.com) and MATLAB (http://www.mathworks.com) the Excel spreadsheet and the DIPPR (https://dippr.aiche.org) physical property database that is typically provided with POLYMATH are taught. The “Modeling and Computation Course” is described in detail by Shacham (2005). In a more advanced “Process Simulation” course, MATLAB and DIPPR are used for modeling individual unit operations. UniSim (https://www.honeywellprocess.com) process simulation program is used for simulation of complete processes. This course is described in more detail by Shacham (2011).

The use of the different software packages will be demonstrated here by calculating the “Adiabatic Flame Temperature (AFT)” for Ethane and Methane natural gas mixtures (presented as problem 2.13 in Cutlip and Shacham, 2007, a copy of the problem definition is available at the ftp site: ftp://ftp.bgu.ac.il/shacham/AIChE_19/Appendix_A.pdf ) . Physical property data (heats of combustion and heat capacity equations and values) are typically available from classical thermodynamic books. The solution of most problems usually start using POLYMATH whose desirable properties are mentioned, for example, by Mahecha-Botero et al. (2011) who advise that the program is appropriate “for solving systems of algebraic and ordinary differential equations because it requires minimal computer programming skills and is extremely simple to use.”

At the Ben-Gurion University, first year students are required to take the introductory “Modelling and Computation” course where the mathematical software packages: POLYMATH (http://www.polymath-software.com) and MATLAB (http://www.mathworks.com) the Excel spreadsheet and the DIPPR (https://dippr.aiche.org) physical property database that is typically provided with POLYMATH are taught. The “Modeling and Computation Course” is described in detail by Shacham (2005). In a more advanced “Process Simulation” course, MATLAB and DIPPR are used for modeling individual unit operations. UniSim (https://www.honeywellprocess.com) process simulation program is used for simulation of complete processes. This course is described in more detail by Shacham (2011).

The use of the different software packages will be demonstrated here by calculating the “Adiabatic Flame Temperature (AFT)” for Ethane and Methane natural gas mixtures (presented as problem 2.13 in Cutlip and Shacham, 2007, a copy of the problem definition is available at the ftp site: ftp://ftp.bgu.ac.il/shacham/AIChE_19/Appendix_A.pdf ) . Physical property data (heats of combustion and heat capacity equations and values) are typically available from classical thermodynamic books. The solution of most problems usually start using POLYMATH whose desirable properties are mentioned, for example, by Mahecha-Botero et al. (2011) who advise that the program is appropriate “for solving systems of algebraic and ordinary differential equations because it requires minimal computer programming skills and is extremely simple to use.”

Original language | English |
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Title of host publication | 2019 AIChE Annual Meeting |

State | Published - 2019 |

Event | 2019 AIChE meeting - Orlando, United States Duration: 10 Nov 2019 → 15 Nov 2019 |

### Conference

Conference | 2019 AIChE meeting |
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Country/Territory | United States |

Period | 10/11/19 → 15/11/19 |