Reaction Simulator

Bachelor's Degree in Chemical Engineering Final Project. Jun 2015 This is a collaboration between the Organic Chemistry and the Automatic, Electric and Automation departments.
Note: The entire project was develop in Spanish.

For this project I built a tool for the department of Organic Chemistry consisting on an interactive database system and a reaction simulator tool. Students should be granted by the leader of the laboratory to upload their results and populate the database so future predictions could perform better results.

Tech

• HTML
• CSS
• JavaScript
• PhP
• MySQL

Database Search

The calculations were designed following a factorial design to perform linear interpolations per each of the input variables. The following video nicely sumarizes the exploration of the algoithm through the database.

Cover special cases

There are some special cases in the search where the behaviour is different. The next video is a description of the chartflow where those cases are gathered.

Determine objective variable

To calculate possible values for the objective value, here is the explanation of how the algoithm would look like: