Subject: optimisation of several factors simultaneously

From: Margaret Wong <[email-masked]>
Date: Sun, 31 Aug 1997 19:38:25 +1000 (EST)

Hello CCL'ers

This isn't quite computational chemistry but I hope that someone is able
to help.
We have a post-graduate student working in our department trying to
optimise a biochemical system. Does anyone know of a package whic might
help him do this.   What follows is his description of his problem.

Any help would be appreciated.

THANKS
 
PROBLEM
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A software package which can optimise a mass balance for a system.

Description of problem:

I am attempting to generate a mass balance for a water circuit in 
a recycling paper mill. Some tank volumes and flow rates can all 
be accurately recorded, others can only be approximated, some must 
be constrained within certain limits, and other are either 
in open or closed states. The computer model would be expected to 
generate a list of flow rate specification in order to achieve 
an overall balance for the system.

Once this has been established I will need to simulate the addition 
of enzyme to the system. Two parameters must be monitored; 
protein concentration and enzyme activity. A complication arises 
with enzyme activity since this parameter is governed by half-life. 
Different tanks within the paper mill are set to different temperatures, 
and this must be reflected in the enzyme activity half-life.
The next step is to introduce paper fibres to the water circuit. 
These fibres follow a distribution in which the number of small 
fibres out numbers the number of large fibres. The distribution of fibres
alters at various points within the mill where pulp 
(a slurry of fibres) thickening or dilution process occurs. 
This parameter must also be subject to a mass balance.

The final hurdle is to simulate adsorption or affinity 
interactions between the enzyme and fibres. 
The degree of adsorption affects the enzyme distribution 
dynamics in the water circuit.

Edmond Lascaris

******************************************************************

cheers

Margaret

  _    Dr Margaret Wong   V    [email-masked]  _-_|\    \_
 (_)o  Chemistry Dept    ) (   [email-masked]     /     \   </' 
 /\  \ Swinburne Uni    /___\  Ph. 03 9 214 8542; 214 8843 \_.-.x/  /)
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