[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

*To*: <dlpark@xxxxxxxx>*Subject*: modelling a stirred tank reactor*From*: "Stephan Kohler" <skohler@xxxxxxxxxxxxxxxx>*Date*: Thu, 28 Nov 2002 14:18:06 +0100*Importance*: Normal

Dear Sir, i am using the Phreeqc program to model batch dissolution experiments and speciation of aqueous equilibria. I would appreciate if you could have either yourself or on of your students could have a look into the following problem : My real interest lies in modelling open stirred tank reactors to simulate flow through dissolution experiments. I started with the idea to do several iterations of a loop that would contain both a kinetic rate and a mixing operation of the solution resulting from the dissolution and a predefined "inlet" solution which would mix at constant volume ratios. I did not get this to work as a mixing function (MIX) may not be part of a rate (KINETICS) function. Now in theory I could do sequential steps of rate,mixing rate,mixing rate,mixing. Now while this does not appeal to me from a programming viewpoint (it seems akward !) I stumbled into a larger problem. I can recover the solution compositon by adding several PUT commands for all necessary ions but how do I then explain PHREEQC to use these to define a new solution that will subsequently be used in a KINETICS block. The following schematic script showing two iterations did not work ! > ************************************************************************** > > TITLE > Solution 1 > Solution 2 > MIX Solution 1 0.2 > Solution 2 0.8 > Save Solution 3 > Use Solution 3 > KINETIC blabla > RATE blabla > -start > ..... > x=MOL("Ca2+") > PUT(x,1) > -end > Solution 4 THIS IS THE CRUCIAL OPERATION !!! > Ca GET(1) > MIX > solution 1 0.2 > solution 4 0.8 > END > Save Solution 5 > USER_PUNCH > .... > Use Solution 5 > KINETIC blabla > RATE blabla > -start > ..... > x=MOL("Ca2+") > PUT(x,1) > -end > Solution 6 > Ca GET(1) THIS IS THE CRUCIAL OPERATION !!! > MIX > solution 6 0.2 > solution 3 0.8 > END > Save Solution 7 > USER_PUNCH > .... > END > > ************************************************************************** Now are there more elegant ways to do it ? How can I define a new solution from previously stored parameters OUTSIDE a rate function ? Can one make a DO LOOP to group a MIX and RATE function with kind regards Stephan Kohler """"""""""""""""""""""""""""""""""""""""""""""""""""" Stephan Köhler LMTG - UMR CNRS n°5563 Observatoire Midi-Pyrénées Université Paul-Sabatier 38, rue des 36-Ponts 31400 Toulouse TEL + 33(0) 561557611 FAX + 33(0) 561558138 """""""""""""""""""""""""""""""""""""""""""""""""""""

**Follow-Ups**:**Re: modelling a stirred tank reactor***From:*David L Parkhurst

**Re: Modelling saine environments***From:*h2osoft

- Prev by Date:
**Re: Question about Phreeqc speciation calculation** - Next by Date:
**Re: modelling a stirred tank reactor** - Previous by thread:
**Re: Question about Phreeqc speciation calculation** - Next by thread:
**Re: modelling a stirred tank reactor** - Index(es):

Project Home Page

Complete Water Resources Division Software

USGS Home Page

Water Resources Division Home Page

NRP Home Page

Help Page

Please note that some U.S. Geological Survey (USGS) information accessed through this page may be preliminary in nature and presented prior to final review and approval by the Director of the USGS. This information is provided with the understanding that it is not guaranteed to be correct or complete and conclusions drawn from such information are the sole responsibility of the user.

Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government.

The URL of this page is:
http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/mail/msg00111.html

Email:dlpark@usgs.gov

Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $

Visitor number 1600 since Jan 22, 1998.