Flush and React

[Tom Meuzelaar]

[admin note: this post represents recovered forum content after a critical hard drive failure - it is not in it's original form]

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Oct 9 2007, 01:35 AM

Hi everyone,

>

> I've been trying to combine flush with react

> commands with the idea that

> flushing should dilute any products produced by a

> react command. this

> works for kinetic reactions, but when I try to

> simply introduce an

> aqueous species using the simple react command, my

> code doesn't seem to

> work.

>

> in the attached code, i'm metering in H2 at a set

> rate and then flushing

> with low H2 water. what I find is that the H2 is

> treated as part of the

> flushing water and that the H2 concentration is set

> to the total amount

> of H2 to be introduced at the end of the run. It appears that

the flush command takes precedence over the react command. Am I

> missing something?

>

> thanks, tco

>

> --

I'm using GB 6.04 Standard

on Windows XP and with the thermo.com.v8 database

attached is the react code, output and Gtplot file

Attached File(s)

flush_aqueousreact.txt ( 1.34k ) Number of downloads: 10

flush_aqueousreactout.txt ( 44.72k ) Number of downloads: 3

flush_aqueousplot.gtp ( 140.92k ) Number of downloads: 1

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Oct 11 2007, 09:29 AM

HI Tom,

yes, I tried flow-through just to see if it made a difference and it didn't. attached is the react program with flow-through removed.

Attached File(s)

flush_aqueousreact.txt ( 1.33k ) Number of downloads: 0

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Oct 11 2007, 03:21 PM

Hi T.C.

From Craig's text, pg. 20: "... a flush model ... tracks the evolution of a system through which the fluid migrates (Fig. 2.7). The equilibrium system in this case might be a specified volume of an aquifer, including rock grains and pore fluid. At each step in reaction progress, an increment of unreacted fluid is added to the system, displacing the existing pore fluid."

If I'm understanding correctly, the flush configuration jettisons all fluid from the system, leaves only minerals, and then adds new unreacted fluid. In your configuration, you're tracking dissolved gas- maybe just a simpler dilution model is what you're looking for?

Regards,

Tom Meuzelaar

RockWare, Inc.