Modelling Group: Computationally model stain removal using enzymes

Goals

To make a computational model to analyze stain-enzyme dynamics
To find optimum parameters

Results

Developed a differential equation model to analyze stain dynamics
A computational approach using Gillespie algorithm
A computational approach using explicit finite difference method for three dimensional modelling

Methods

Matlab
ODE solvers
Gillespie Algorithm
Explicit Finite Difference method (FDM)

Abstract

Motivation and Background

Challenge: Modelling stain removal in a compact washing machine

A typical garment is composed of several square meters of fabric and a typical compact washing machine has a volme of 70 liters.

Example figure box

Results

Model1: Ode-based

Model2: Gillespie Algorithm-based

Model3: 3D modelling using FDM

Explicit Finite Different scheme is used to model three dimensional stain - enzyme dynamics. The enzyme is assumed to be homogeneously spread through out the spatial domain at the start of the experiment. The scheme was applied on a reaction and diffusion equation thereafter. No flux boundary condition was applied at all boundaries which specifically meant for zero enzyme loss from the system. One of the boundaries is taken as the shirt with stain (1cm^2 area). The parameters and the initial conditions used in the simulations were chosen as realistic as possible.