CXTFIT and equilibrium sorption

A discussion forum for STANMOD users. STudio of ANalytical MODels is a software package for evaluating solute transport in porous media using analytical solutions of the convection-dispersion solute transport equation.


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Srilert
Posts: 98
Joined: Fri Aug 19, 2005 2:27 am
Location: Thailand

CXTFIT and equilibrium sorption

Post by Srilert » Tue Jul 03, 2007 4:26 am

Dear all,
I am just starting to use the program. So, I am wondering some questions about it. I am grateful if anyone explain clealy my questions.
1.In CXTFIT, does it could estimate non-linear sorption isotherm, i.e. Freundlich or Lanmuir?
2.In non-equilibrium sorption, after I choose non-eqilibrium CDE, how should i do if i want to fit paremeters for physical non-eqilibrium or chemical non-eqilibrium?
3.Is it possible to compare the results from CXTFIT with hydrus 1d or hydrus 2d (in mode of non-equilibrium) ?

Thank you for your assistance
Best regards,
Srilert

ntoride
Posts: 74
Joined: Fri May 21, 2004 12:50 pm
Location: Japan

Post by ntoride » Tue Jul 03, 2007 8:18 am

Dear Srilert:

1.In CXTFIT, does it could estimate non-linear sorption isotherm, i.e.
Freundlich or Lanmuir?

No, CXTFIT is based on analytical solutions for the linear CDE in terms
of concentration. Analytical solutions can derived only for the linear
CDE. Hence, the solutions are only for the linear sorption.

2.In non-equilibrium sorption, after I choose non-eqilibrium CDE, how
should i do if i want to fit parameters for physical non-eqilibrium or
chemical non-eqilibrium?

As described in p.15-19 in the manual, chemical and physical
nonequilibrium models reduce to the same dimensionless form. Input
parameters are listed in Table 6.6 and nondimensional parameters are
described in Table 3.1.

3.Is it possible to compare the results from CXTFIT with hydrus 1d or
hydrus 2d (in mode of non-equilibrium) ?

Yes, it is possible for the steady-state flow with linear adoption.
Again, CXTFIT is based on analytical solutions for the equilibrium
and nonequilibrium CDE, while HYDRUS numerically evaluates CDE.

If any further questions, please do not hesitate to ask me.

Regards,

Nobuo

Srilert
Posts: 98
Joined: Fri Aug 19, 2005 2:27 am
Location: Thailand

Post by Srilert » Tue Jul 03, 2007 10:21 am

I am not sure HYDRUS 1D AND 2D have options for nonequilibrium condition ? Is it possible I can fit BTCs results with HYDRUS 1D or 2D for this conditions as well. In addition, I can find sorption parameter of Freudlich or Langmuir also.

Please suggest for this.
Thank you in advance.
Srilert

Jirka
Posts: 6250
Joined: Sat Mar 16, 2002 3:47 pm
Location: USA
Location: Riverside, CA

Post by Jirka » Tue Jul 03, 2007 11:50 pm

All HYDRUS models can handel both physical (mobile and immobile water content model) and chemical (two-site sorption model) nonequilibrium, as well as nonlinear sorption.

For mobile-immobile model you need to specify "ThetaIm" (immobile water content) and "Frac" (fraction of sorption sites in contact with mobile water).

For two-site sorption model, "ThetaIm" must be equal to zero and you need to specify "Frac" (fraction of equilibrium sorption sites).

Jirka

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