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 Interpreting NOD_INF.OUT sorb
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bjohnson
Junior Member

USA
4 Posts

Posted - 03/01/2010 :  23:06:12  Show Profile  Visit bjohnson's Homepage  Reply with Quote
Dear Jirka-

I calculate an initial adsorbed concentration of 0.537, but NOD_INF.OUT appears to be estimating it at 0.614. I have not been able to reconcile this number.

Details.

Hydrus 1D v4.14
Profile 100cm with initial concentration from 40-50cm of 1.0 (as Total Concentration, i.e. mass solute/volume soil)
Initial pressure head -500 cm giving volumetric water of 0.07876
BD=1.5g/cm3 (theta s =0.41 and theta r = 0.065, from PROFILE.OUT for this sandy loam)
Solute Kd=0.27, Kh=0.0575
No temperature dependence for partition coefficients.

Mass balance gives initial total mass of solute in soil of 10.093,which differs from 10 probably due to my attempts at mesh refinement (i.e. 10 cm initial input region not exactly 10 cm) and is OK.

Mass balance gives initial mean concentration (cMean) of 0.20074 and I manually calculate 0.2007. So this looks good.

NOD_INF.OUT indicates under column "Conc(1..NS)" with units "[M/L*3]" the initial concentration along the 10 cm region 1.989, which is exactly what I calculate. So this looks good.

NOD_INF.OUT indicates under adjacent column "Sorb(1...NS)" (no units given, I assume M/M for mass of adsorbed solute/mass of soil) 0.614
I cannot understand this number. With the Kd=0.27, the adsorbed concentration should be 0.27*1.989=0.537.

On pg 232, the manual states: "Sorb(1,..,NS) Nodal value of the sorbed concentration [MM-1] or concentration in the immobile regions [ML-3]. Only given when lChem=.true. and lEquil=.false. " I checked SELECTOR.IN and lchem and lequil are both .true. for my simulation. So, according to the manual, I suppose, Sorb(1,...,NS) should be not printing out anything?

Sincerely
Bruce

Jirka
Moderator

USA
1788 Posts

Posted - 03/01/2010 :  23:33:23  Show Profile  Visit Jirka's Homepage  Reply with Quote
The Sorb column in the Nod_inf.out file prints concentrations for the nonequilibrium phase, which is either
a) concentration in the immobile water when dual-porosity model is used
b) concentration at the first attachment sites when two-kinetic sorption sites model (particle model) is used
c) sorbed concentration at kinetic sorption sites, when the two-sites sorption model is used.
This column should be zero when no nonequilibrium model is used. It should never pring simply the sorption concentration at equilibrium sorption sites.

Jirka
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