Typo in guide

[Dino]

Tom,

 

There appears to be a typo in the Reaction Modeling Guide. On pg 61, "...The mineral's rate of precipatation, should it be oversaturated, however, is zero..." I believe this should be "undersaturated" since the script sets the rate to zero when Q/K < 0. Correct?

 

In this regard, I find that when I need a model with glass dissolution kinetics and analcime kinetics, some analcime dissolves even when I have '0' in the starting mass of analcime. This leads to a positive rate and a negative volume. I believe the solution is to use a script like the one on pg 61. Correct?

 

Thanks,

 

Denis

[Tom Meuzelaar]

Hi Denis:

 

Thanks for posting to the forum.

 

Can you tell me what version of the Reaction Modeling Guide you are looking at? Because p. 61 of the v8 manual shows something different than what you are describing.

 

I think the last time we spoke you sent me a script where you were using a combination of a custom rate law and a built-in rate law, and thus your critical saturation index (CSI) of zero was being ignored. So the solution would be to use a script which sets an explicit CSI.

 

I hope that helps,

 

Tom Meuzelaar

RockWare, Inc.

[Dino]

Hi Tom

 

The version is Release 8.0 published October 27, 2009.

 

I am not using a custom and built-in. I am putting in both kinetics as custom rate laws. I have the glass kinetics in the input script. The Analcime rate is embedded in the scrpt:

 

If QoverK < 1 then 20 else 40

20: kinetic Analcime rate_law = "pre_exp*(1-Q/(K))*exp(-act_en/(8.314*TK))" pre-exp = .00551 act_eng = 77000 surface = 1000 nucleus = 100 critSI = .3 sparea = 100

Goto 60

10: kinetic Analcime rate_law = 0.0000

60: Return rate

 

However, I don't think I am getting to the script. I use the call on the command tab with no analcime in the reactants list kinetic Analcime rate_law = "c:\active files\gwb files\analcime.bas" (have to use the quotes because GWB does not understand spaces in the command line and I get a response that one of the words is a command that is not in the command list). This command leads to an entry in the reactants list for analcime, but not with the custom rate law or other input like the surface area, etc. I've tried to put the '.bas' file in a different directory with no success. So, I'm missing something.

 

Denis

 

 

Hi Denis:

 

Thanks for posting to the forum.

 

Can you tell me what version of the Reaction Modeling Guide you are looking at? Because p. 61 of the v8 manual shows something different than what you are describing.

 

I think the last time we spoke you sent me a script where you were using a combination of a custom rate law and a built-in rate law, and thus your critical saturation index (CSI) of zero was being ignored. So the solution would be to use a script which sets an explicit CSI.

 

I hope that helps,

 

Tom Meuzelaar

RockWare, Inc.

[Tom Meuzelaar]

Hi Denis:

 

If you attach your React script, .bas file and thermo database I can take a look (or email to me if you need to keep it proprietary).

 

By the way, while (1-Q/K) can take on a negative value, Q/K cannot. So you'll need to fix this in your script at a minimum...

 

Regards,

 

Tom

[Tom Meuzelaar]

Hi Denis:

 

If you attach your React script, .bas file and thermo database I can take a look (or email to me if you need to keep it proprietary).

 

By the way, while (1-Q/K) can take on a negative value, Q/K cannot. So you'll need to fix this in your script at a minimum...

 

Regards,

 

Tom

 

This thread was concluded and resolved here....