Jump to content
Geochemist's Workbench Support Forum
yzdm

How can i pick up special reaction informations and gather them together?

Recommended Posts

Hi, everyone,

 

I need to run a series reaction files under diffrent w/r ratios and temperatures, which is about 126 reacions in total. This is only the first step.Moreover, i also need to run new reactions on the basis of the results of the first step.

As we can see, i may collect the concentrations or values of the products, the pH, the logfO2 and some elements in the fluid about the 252 reactions. I did it once, which took me about four days. It is too time consuming, so i want to ask for help!

Is there any convenient way for users like me to get what i want.

Thank you guys.

Share this post


Link to post
Share on other sites

Hello,

 

As I recall, you have a licensed version of GWB Standard, which includes the React app. This allows you to perform many calculations and analyses not possible with the free Student Edition software.

 

First of all, are you calculating reaction path simulations or are you interested only in equilibrium state. If you're only interested in equilibrium state (what you can calculate with SpecE8), then instead of running a series of discrete simulations at different temperatures, you can set up a simple polythermal path ("sliding temperature") to scan over a range of temperatures. As for water/rock ratio, the best strategy depends on how exactly you define the ratio, but one simple idea is to add your mineral(s) as simple reactants (a "titration path"). As the reaction path proceeds, you react more and more mineral mass into a body of water, thus considering a range of water/rock ratios. Again, whether or not this is appropriate depends on how you exactly you define water/rock ratio.

 

Second, are you aware of React's pickup feature? With the pickup feature, you use the results of one calculation as the starting point for another. For more information, please see 3.9, Picking up the results of a run, in the GWB Reaction Modeling Guide.

 

Finally, if you're already setting up a multitude of reaction path calculations, you might wish to programmatically run and retrieve results from GWB calculations. There are a few ways to do this in the GWB. They're described in the GWB Reference Manual in chapters entitled Report Command, Control Scripts, and the Plug-In Feature.

 

Hope this helps,

 

Brian Farrell

Aqueous Solutions LLC

Share this post


Link to post
Share on other sites
On 2017/11/25 at 5:22 AM, Brian Farrell said:

Hello,

 

As I recall, you have a licensed version of GWB Standard, which includes the React app. This allows you to perform many calculations and analyses not possible with the free Student Edition software.

 

First of all, are you calculating reaction path simulations or are you interested only in equilibrium state. If you're only interested in equilibrium state (what you can calculate with SpecE8), then instead of running a series of discrete simulations at different temperatures, you can set up a simple polythermal path ("sliding temperature") to scan over a range of temperatures. As for water/rock ratio, the best strategy depends on how exactly you define the ratio, but one simple idea is to add your mineral(s) as simple reactants (a "titration path"). As the reaction path proceeds, you react more and more mineral mass into a body of water, thus considering a range of water/rock ratios. Again, whether or not this is appropriate depends on how you exactly you define water/rock ratio.

 

Second, are you aware of React's pickup feature? With the pickup feature, you use the results of one calculation as the starting point for another. For more information, please see 3.9, Picking up the results of a run, in the GWB Reaction Modeling Guide.

 

Finally, if you're already setting up a multitude of reaction path calculations, you might wish to programmatically run and retrieve results from GWB calculations. There are a few ways to do this in the GWB. They're described in the GWB Reference Manual in chapters entitled Report Command, Control Scripts, and the Plug-In Feature.

 

Hope this helps,

 

Brian Farrell

Aqueous Solutions LLC

Hi Brian Farrell,

Thank you for your reply.  It maybe work, however, i need time to learn the methods. And i will ask for your help, if more questions occur to me.

Best

Share this post


Link to post
Share on other sites

Create an account or sign in to comment

You need to be a member in order to leave a comment

Create an account

Sign up for a new account in our community. It's easy!

Register a new account

Sign in

Already have an account? Sign in here.

Sign In Now

×