exact value for logK at 25 deg C

[Sergi Molins Rafa]

Hi all

Is there a way to force PFloTran to use the exact logK value at 25degC from the database file rather than using the interpolation function to evaluate logK at 25 deg C?  (other than manually typing the same log K value for all temperatures in the database, that is)

Thanks a lot,

Sergi Molins

[Hammond, Glenn E]

You need all the temperature values.  As a work around, set all the logKs to the 25 deg C value.  Otherwise, you can set the non-25 deg C values to 0 and the interpolation should still provide the 25 deg C value.

 

Glenn

 

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[Peter Lichtner]

If the temperature coincides exactly with the database temperature it should use the database log K without interpolation.

...Peter

________________

Peter Lichtner

Santa Fe, NM 87507

(505) 692-4029 (c)

OFM Research

[Hammond, Glenn E]

If the high and low temperatures, i.e. x_high and x_low in:

 

subroutine

Interpolate(x_high,x_low,x,y_high,y_low,y)

  ...

  if (dabs(x_high-x_low) < 1.d-10) then

    y = y_low

  else

 

are equal, then there is no interpolation, but we never force them to match in database.F90 for isothermal.  They are set to the database temperatures that bound the isothermal temperature (see if/else construct at line 956 of database.F90).  Therefore, we ALWAYS interpolate.

 

Glenn

 

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From: pflotra...@googlegroups.com [pflotra...@googlegroups.com] on behalf of Peter Lichtner [peter.l...@gmail.com]
Sent: Thursday, October 03, 2013 10:00 AM
To: pflotra...@googlegroups.com
Subject: Re: [EXTERNAL] [pflotran-users: 994] exact value for logK at 25 deg C