## Resources

Modeling Scenario

## 5-007-ChemOpt-ModelingScenario

Author(s): Brian Winkel

SIMIODE - Systemic Initiative for Modeling Investigations and Opportunities with Differential Equations

Keywords: optimization p Yield and sustainability nonprofit management Law of Mass Action kinetic reaction

## Abstract

Modeling a chemical reaction and estimating parameters in the model permits optimization of profits from extracting reactants.

## Citation

Researchers should cite this work as follows:

## Description

A laboratory experiment is going on in the Projects Lab of your company. A colleague, a production chemist, comes to you for advice.

Compound A is heated to 120oC in order to produce compounds B and C. The temperature of the pot containing all of these compounds is kept at 120oC in order to keep the reaction going.

k1 is the reaction rate constant in units 1/hr for the reaction in which A is converted to B while the reaction rate of converting compound B to C is k2.

The data from the reaction has been gathered and presented in the scenario.

The goal is to produce compound B for marketing. Thus we seek a mathematical model as an aid in telling us the best time to stop the process and extract compound B for the market. One measure of best is most profit or net return. We know that A costs \$0.50 per mole and B sells for \$3.50 per mole. Our production engineer friend has found that for compound C we can expect a return of \$0.25 per mole from the recovered C.

Find the optimal shutoff time for this process in order to optimize the net return on this process.

Find the optimal shutoff time for this process in order to optimize the net return on this process.

## Article Files

• 5-007-S-ChemOpt-StudentVersion.pdf(PDF | 423 KB)
• 5-007-S-ChemOpt-StudentVersion.tex (Instructors only)(TEX | 14 KB)
• 5-007-T-ChemOpt-TeacherVersion.pdf (Instructors only)(PDF | 460 KB)
• 5-007-T-ChemOpt-TeacherVersion.tex (Instructors only)(TEX | 14 KB)
• 5-007-T-Mma-ChemOpt-TeacherVersion.nb (Instructors only)(NB | 294 KB)
• 5-007-T-Mma-ChemOpt-TeacherVersion.pdf (Instructors only)(PDF | 294 KB)
• 5-7-Final.eps(EPS | 120 KB)
• ChemPic.jpg(JPG | 32 KB)
• SIMIODE.cls(CLS | 7 KB)
• SimiodeLogo.jpg(JPG | 271 KB)