Professionally I work at BPT and focus on creating value adding App for Process Simulation. You can find more info on those on the BPT website. Below are posts that should help HYSYS, PetroSIM and UNISIM users alike in their day to day challenges to produce accurate yet fast models efficiently.

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Sunday, 22 July 2012

Using Electrolytes in HYSYS


I regularly get questions concerning modelling aqueous solutions in HYSYS, are some tips on how to do that. First of all: You do NOT need any  additional license to use this feature. Aspen Properties is part of the base HYSYS license. 

Below is the description of how to create a simple case with electrolytes:
Start HYSYS
Create a new case
Select the “Aspen Properties Databanks” radio button and then add a component list
Add a couple of components: H2O, HCL, CO2, NAOH, CH4 (for example)
Close the component list and go to the fluid package tab
Add a Fluid package and at the top select “Aspen Properties”
From the list that appears, select Electrolyte NRTL
IT IS VERY IMPORTANT NOT TO SKIP THE NEXT STEP!!!
Click on the Electrolyte Wizard” button
Uncheck “Salt Formation” (this doesn’t work well in HYSYS for the moment)
Click the “Get Reactions” Button and click OK
Close the fluid package view and go to the simulation environment
It will take 15 seconds or so before you get to the simulation environment
Create a stream and enter pressure, temperature and flow
Enter a composition, please note that you should NOT enter anything for the ions, ONLY enter compositions for the molecular species
Look at the vapour and liquid compositions and also at the properties of the liquid and the pH value for example.

As mentionned above, you do not enter ionic concentrations. So, if the analysis you have expresses the water composition in terms of ions, you'll have to do a little prep work before you put this in HYSYS. Put your ionic composition in an Excel Spreadsheet and make an ion balance so you cna recombine your ions back into salts. Normally, NaCl is the main part of your salts, so leave the Na+ and Cl- ions until last to make up the balance. If you want I can Email you a sample Excel sheet. It is important to do a bit of extra analysis and eliminate the ions you do not really need for your purpose. If you use the full list like below, you case will calculate very slowly because of all the potential reactions involved. So do not be scared to dump some of the ions, especially if what you are interested in are really just pH and density for example.

14 comments:

Kate Dunkin said...

This was such a informative post! I came across your post while looking for a heater rental, I'm happy I did because I had no idea about using Electrolytes in HYSYS. Thank you for sharing this with us!

Anonymous said...

thanks a lot, very informative. Can u post the MS Excel file .

gopinath

kontactgopi@yahoo.co.in

Celeste Dopazo said...

Great post! I tried to do it, but when I try to Enter Simulation Environment I get the message "Aspen Properties23.0is not installed" and I don't know how to solve it.

New Chemi said...

Thank you for such elaborate detail on how to model electrolyte using basic HYSYS. Can you please email me that spreadsheet at vjambhekar@gmail.com. I am working on the similar thing right now and this would be a great help.

Thank you.

meng wang said...

Hello, thanks for this wonderful post. Have you tried to simulate electrolyte system in dynamic case using hysys?
I'm using hysys to test the simulation of adjust the waste pH value using NaOH solution. But in dynamic mode, I can not get the pH value. In state-ready run, no problem at all.

Do you have any idea about this?

Thanks!

Kwizim said...

Meng, you may have managed to run a very simple case with electrolytes in dynamics, but for any real size case you'll find that the speed makes it unusable. I think that is why Aspentech never bothered to add the pH in dynamics. I think your only option is to use a simple thermodynamic method (Antoine) and use a spreadsheet or so to calculate the pH.

Christina Wang said...

hello,thanks a lot for your explanation. It helps me a lot. I wonder if possible, could you send me that excel spreadsheet you mentioned to balance the ions? I will really appreciate it. My email is yuwang@pi.ac.ae

Asma Rimel said...

hello,thanks a lot for your explanation. I wonder if possible, could you send me that excel spreadsheet you mentioned to balance the ions? I will really appreciate it. My email is rimelasma @gmail.com

Nasir said...

qazinasir@gmail.com

Vincensius Dwinanda said...

could you send me the excel file at vincensiuscd@gmail.com? thanks before

ChemEng said...

Thank you very much! That is very informative! can you send the excel prep works to my kuskanat@gmail.com account please?

Thanks much!

Andres Rosales said...

Hello, you recommend:

  "Uncheck" Salt Formation "(this does not work well in HYSYS for the moment)"

But I need to calculate the salt (solid) and then separate it ...

It is possible in Hysys to predict the formation of Salt

Andres Rosales said...

I appreciate your help

K Martin said...

Hi, could you please send me the excel file at martinmk514@gmail.com

Thanks!

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