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Re: Re: new to group - Chemical Equation

  • To: mathgroup at smc.vnet.net
  • Subject: [mg100234] Re: [mg100213] Re: [mg100175] new to group - Chemical Equation
  • From: "Scot T. Martin" <smartin at seas.harvard.edu>
  • Date: Thu, 28 May 2009 19:34:42 -0400 (EDT)
  • References: <6147782.1243412890107.JavaMail.root@n11> <200905280829.EAA14200@smc.vnet.net>

Jem,

I'm a chemist, and I have various thermodynamic and kinetic solvers. 
Here's one that could do what you want. It's from April 1999, but it 
should still work fine (though I haven't tested it):

http://www.seas.harvard.edu/~smartin/surface complexation model.nb

This program does more than you want, i.e., the equilibrium equations 
include a term for adsorption to a surface. Nevertheless, maybe you'll 
find the package helpful for your application.

Best, Scot


> From: Jem 
[mailto:not.a.ninja25 at gmail.com] >
> Hi,
>
> Hi, I am a postgrad student and completely new to mathematica, I am just
> starting to realise the possibilities.
>
> I am trying to do a chemical speciation calculation.
> I have a set of simultaneous equations which represents the equilibria, mass
> balance, and charge balance in the system.
>
> I want to eliminate some of the variables, and then be able to solve for the
> remaining ones.
> My system of equations looks like this:
> a=b+c+d
> e=f+g+c+2d
> h=c/(bg)
> i=d/(cg)
> hi=d/(bg^2)
> j=mg/f
> k=lm
> n+m+b+c=g+l
>
> I will try to attach an image of what my formula looks like sofar.
> Basically, I can solve for the variable I want, but I am having trouble
> eliminating the ones I don't want (ie. I am getting an answer that is in
> terms of the wrong variables)
>
> I have been in the help files for ages, and don't really understand how to
> do this.
> I would really appreciate some pointers!!
> Thanks
>
>
> Solve[{a == b + c + d, e == f + g + c + 2 d, h == c/(b*g),
>  i == d/(c*g), h*i == d/(b*g^2), j == m*g/f, k == l*m,
>  n + m + b + c == g + l}, {g}]
>
>
>
>
>


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