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Computation with
SINGULAR
By symbolic methods the describing equations can be generated automatically (in a ring with long floating numbers) using the initial data (molecular weight, temperature, initial concentrations). These equations can then be solved by using a globally converging Newton method.
Automatical symbolic model generation // generate appropriate names for the variables
string namen=gemischsnamen(n,vb);
// define the ring
string rr="ring gemisch=(real,30),("+namen+",Mol),(c,dp);";
execute(rr);
// generate the (transformed) equations
int trans=2; // Exponent of the transformation
vector Ch=createchemkoeff(trans,T,Gb,Gv,vb);
ideal gl=gleichungen(trans,Ch,vb);
gl=homog(gl,Mol);
ideal in=konzplus(gl,z);
Solution with SINGULAR // generate (heuristic) initial values
ideal st=getstart(16,0.001,z);
// Parameters
intvec pp=100,15,0;
// Solving with automatically damped Newton method
ideal aa=nt_solve(in,st,pp);
// aa contains the solutions
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Sao Carlos, 08/02 | http://www.singular.uni-kl.de |