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}] > > > > >

**References**:**Re: new to group - Chemical Equation Solutions***From:*"David Park" <djmpark@comcast.net>