Andino, J. M., & Otsengue, T. (2017, April), Application of Computational Tools to Enhance Understanding of Chemical Kinetics, Mechanisms, and Reactors: Examples in Air Pollutant Formation and Control  Paper presented at 2017 Pacific Southwest Section Meeting, Tempe, Arizona. 10.18260/1-2--29205

\bibitem{asee_peer_29205}
  Andino, J. M., \& Otsengue, T. (2017, April), \emph{Application of Computational Tools to Enhance Understanding of Chemical Kinetics, Mechanisms, and Reactors: Examples in Air Pollutant Formation and Control}
  Paper presented at 2017 Pacific Southwest Section Meeting, Tempe, Arizona.
  10.18260/1-2--29205

Jean M. Andino P.E. and Thonya Otsengue.  "Application of Computational Tools to Enhance Understanding of Chemical Kinetics, Mechanisms, and Reactors: Examples in Air Pollutant Formation and Control".  2017 Pacific Southwest Section Meeting, Tempe, Arizona, 2017, April.  ASEE Conferences, 2017.  https://peer.asee.org/29205 Internet.  16 Apr, 2024

\bibitem{asee_peer_29205}
  Jean M. Andino P.E. and Thonya Otsengue.
  "Application of Computational Tools to Enhance Understanding of Chemical Kinetics, Mechanisms, and Reactors: Examples in Air Pollutant Formation and Control".
  \emph{2017 Pacific Southwest Section Meeting, Tempe, Arizona, 2017, April}.
  ASEE Conferences, 2017.
  https://peer.asee.org/29205 Internet.  16 Apr, 2024

@INPROCEEDINGS{asee_peer_29205
author = "Jean M. Andino P.E. and Thonya Otsengue"
title = "Application of Computational Tools to Enhance Understanding of Chemical Kinetics, Mechanisms, and Reactors: Examples in Air Pollutant Formation and Control"
booktitle = "2017 Pacific Southwest Section Meeting"
year = "2017"
month = "April"
address = "Tempe, Arizona"
publisher = "ASEE Conferences"
note = {https://peer.asee.org/29205}
number = {10.18260/1-2--29205}
}

TY  - CPAPER
AB  - Title: Application of Computational Tools to Enhance Understanding of Chemical Kinetics, Mechanisms, and Reactors: Examples in Air Pollutant Formation and Control
 
Environmental and chemical engineering students are introduced to topics in chemical kinetics, mechanisms, and reactors in many of their fundamental engineering classes. The use of example problems that enable students to better understand product formation from multi-step reactions, as well as how the choice of a reactor (e.g. a batch versus a flowing reactor) influences the predicted product yields are important.  Computational tools are useful in enabling the evaluation of multiple scenarios and complicated, multi-reaction systems. 

This paper utilizes air quality engineering examples to enable exploration of the effects that varying parameters have on air pollutant formation and control. The influences of initial NOX and gas-phase hydrocarbon concentrations on ozone formation are explored.  Simplified chemical kinetic mechanisms, rate constants, and rate expressions are presented and modeled using the Polymath numerical computational package. Corresponding Matlab inputs are also illustrated. The example that is presented enables faculty to reinforce mathematical principles (e.g. solving differential equations), chemical rates/rate constants/reaction orders, and fundamental reactor concepts of mole balances, conversion, and yield. Moreover, the systems that are discussed enable a broader discussion of air pollutant formation and control. These are areas that students may easily relate to in their everyday lives. Methods by which the tools can be employed in alternative scenarios are also discussed. 

AU  - Jean M. Andino P.E.
AU  - Thonya Otsengue
CY  - Tempe, Arizona
DA  - 2017/04/20
PB  - ASEE Conferences
TI  - Application of Computational Tools to Enhance Understanding of Chemical Kinetics, Mechanisms, and Reactors: Examples in Air Pollutant Formation and Control
UR  - https://peer.asee.org/29205
DO  - 10.18260/1-2--29205
ER  -