acid compatibility

[amin.alinejad]

Hi

I want to simulate the compatibility between HCl acid and additives such as corrosion inhibitors which are used in petroleum industry, but i don't know which module is suitable for this. Also how can i find the hydrolysis of various compounds in G-WB software?

I will be grateful if anyone can help me.

 

[Guest Melika Sharifi]

Dear Amin,

 

SpecE8 app helps you check the equilibrium state of your multicomponent system. You can calculate the saturation state of minerals or the speciation of the corrosion inhibitors in your system using SpecE8, which is included in the GWB Student Edition, but to simulate the reaction process between HCl and corrosion inhibitors you will need React, which is included in the GWB Standard package. I think you will find section 7.1 Example calculation and 7.2 Equilibrium models in the GWB Essentials Guide, and Chapter 2, Getting Started with React, and Chapter 3, Tracing Reaction paths in the GWB Standard Guide helpful. You can access the guides from the Help menu of any GWB app.

 

In regard to your other question, you can use TEdit program, which you can access from the Support pane of the GWB Dashboard, to check the basis species and reactions along with their log Ks at different temperatures included in each thermo dataset.

 

Best Regards,

Melika Sharifi

Aqueous Solutions LLC

[amin.alinejad]

I really appreciate.

[amin.alinejad]

Hi

In my simulation I need to combine components such as Triethylamine, Hexylamine, formaldehyed ,.... with HCl and investigate the equilibrium state between them, but I don't know where I can find them, please help me.

thanks

[Guest Melika Sharifi]

Dear Amin,

 

Several thermodynamic datasets are installed with the software, and you can load each into any GWB app using File-->Open-->Thermo Data... . One in particular called thermo.com.V8.R6+.tdat, released by Lawrence Livermore National Lab, contains a large number of organic species, including Formaldehyed. If you can’t find a particular species, it’s a simple matter to add the necessary reactions and log Ks to the GWB thermo datasets. I think you will find TEdit app very useful for making these modifications. Sections 9.2.3 and 9.2.4 in the GWB Essentials Guide describe how to add reactions to your thermo dataset using TEdit.

 

Bests,

Melika Sharifi

Aqueous Solutions LLC

[amin.alinejad]

Dear Melika,

 

I am very grateful to you because of your helps and attention to my problems. I have found components which I need in TEdit section such as formaldehyde, hexylamine,... I must mix these components with water and Hydrocholoridric acid and investigate the effect of calcium ion concentration on produced scales. But when I want to import this components in basis pane I couldn't find these compounds in the list. How can I import these components to the initial solution?

 

Thanks

[Guest Melika Sharifi]

Dear Amin,

 

In any GWB app, only basis species of the loaded thermo dataset are available to add to the basis pane using "Add”.

Each thermodynamic dataset contains a number of redox coupling reactions that link species of differing oxidation states (e.g. HCO₃ ^- and Formaldehyed). The GWB apps, by default, assume redox equilibrium in the system. When you believe your system is not in redox equilibrium, or when you have data for the same element in multiple redox states, you should decouple redox pairs by selecting Config –> Redox Couples from any GWB app.

For more information, please read section 2.4 Redox Couples of the GWB Essentials Guide.

 

 

Bests,

Melika Sharifi

Aqueous Solutions LLC