New Mexico Supercomputing Challenge

The science of Wine Aging

Team: 4

School: Albuquerque Academy

Area of Science: Chemistry

Interim: Interim Report
For Team 4
Definition of problem: Our team was interested in Chemical Reaction Networks. The first one we could think of is the aging of wine, so we decided to investigate further. We found two websites with valuable information of the chemistry of wine. Since there are many reactions, many variables that will result in small changes in temperature can have serious consequences on the outcome of the process. This means we will need to make many models of our network with changing the variables like initial temperature, acidity, and sugar concentration. Hopefully we will be able to find optimal conditions to obtain the right amount of Acetate and Ethanol.
Plan: We will have to determine the amount of the final products of the network. The chemical network will be represented by a group of nodes, where each node represents a molecular compound and each arc represents a reaction rate. We will make a C++ class for a node and another C++ class for the network. A node will have a class member that defines the concentration. We will perform a time-based simulation. At each time-step, we will change the concentrations of the compounds based on the reaction rates and other variables, such as amount of compound required. Below is a simple diagram of the interaction between nodes and arcs of our program. The blue boxes are each unique nodes, and the arrows are arcs.

Progress: We have made little progress so far.
Expected Results: We are unsure of what we are going to be able program. Our programming skills are very basic, so the simpler we can make our problem, the better. If we are able we will try to visually represent what will happen in the reactions.
Mentors: Laura Swiler

Team Members:

  Mark Swiler
  Jason Watlington
  Carl Cherne

Sponsoring Teacher: Jim Mims

Mail the entire Team

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