Difference between revisions of "Aqueous Electrolytes Property Package"

From DWSIM - Open Source Chemical Process Simulator
Jump to navigation Jump to search
m
m
 
(14 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
__NOTOC__
 
__NOTOC__
 +
 
This is an Aqueous Electrolytes Property Package for DWSIM based on Reaktoro (https://reaktoro.org).
 
This is an Aqueous Electrolytes Property Package for DWSIM based on Reaktoro (https://reaktoro.org).
  
Line 8: Line 9:
 
== Features ==
 
== Features ==
  
* Supports calculation of chemical equilibria in the aqueous and gaseous phase
+
* Supports calculation of chemical equilibria in aqueous and gaseous phase
* Automatically calculates acid/base/salt dissociation and other reactions
+
* Automatically solves acid/base/salt dissociation and other reactions
 
* Supports solid precipitates
 
* Supports solid precipitates
 
* Calculates pH, Osmotic Coefficient and Ionic Strength
 
* Calculates pH, Osmotic Coefficient and Ionic Strength
Line 15: Line 16:
 
== Supported Compounds (ChemSep and Electrolyte Databases) ==
 
== Supported Compounds (ChemSep and Electrolyte Databases) ==
  
 +
<div style="column-count:4;-moz-column-count:4;-webkit-column-count:4">
 
* Ammonia
 
* Ammonia
 
* Ammonium (ion)
 
* Ammonium (ion)
Line 50: Line 52:
 
* Potassium Iodide
 
* Potassium Iodide
 
* Potassium Ion
 
* Potassium Ion
* Salt
 
 
* Sodium (ion)
 
* Sodium (ion)
 
* Sodium Bromide
 
* Sodium Bromide
Line 62: Line 63:
 
* Water
 
* Water
 
* Xenon
 
* Xenon
 
+
</div>
== Download and Installation Instructions ==
 
 
 
This Property Package uses a Python environment containing Reaktoro to do the chemical equilibrium calculations.
 
 
 
To get the whole package up and running, download both files (Reaktoro Property Package ZIP file and Reaktoro Python Environment 7z file) and unpack them on the '''ppacks''' directory inside DWSIM installation folder, so the files get organized as in the following screenshot:
 
 
 
[[File:Reaktoro.png]]
 
 
 
Download Link: [https://gum.co/NIEQQ https://gum.co/NIEQQ]
 
 
 
If everything is correctly set, you should see a new Property Package available on the list with the name '''Reaktoro (Aqueous Electrolytes)''':
 
 
 
[[File:ReaktoroPP.png]]
 
  
 
== Source Code ==
 
== Source Code ==
  
[https://github.com/DanWBR/ReaktoroPropertyPackage View and Download Property Package Library Source]
+
* [https://github.com/DanWBR/dwsim/tree/windows/DWSIM.Thermodynamics.ReaktoroPropertyPackage View and Download Property Package Library Source]
[https://github.com/reaktoro/reaktoro View and Download Reaktoro Source]
+
* [https://github.com/reaktoro/reaktoro View and Download Reaktoro Source]
  
 
== Support and Bug Reporting ==
 
== Support and Bug Reporting ==
  
[https://github.com/DanWBR/ReaktoroPropertyPackage/issues Property Package Library specific Issues]
+
* [https://github.com/DanWBR/dwsim/issues Property Package Library specific Issues]
[https://github.com/reaktoro/reaktoro/issues Reaktoro-specific Issues]
+
* [https://github.com/reaktoro/reaktoro/issues Reaktoro-specific Issues]

Latest revision as of 12:18, 2 August 2023


This is an Aqueous Electrolytes Property Package for DWSIM based on Reaktoro (https://reaktoro.org).

Reaktoro is a computational framework developed in C++ and Python that implements numerical methods for modeling chemically reactive processes governed by either chemical equilibrium, chemical kinetics, or a combination of both.

ReaktoroOverview.png

Features

  • Supports calculation of chemical equilibria in aqueous and gaseous phase
  • Automatically solves acid/base/salt dissociation and other reactions
  • Supports solid precipitates
  • Calculates pH, Osmotic Coefficient and Ionic Strength

Supported Compounds (ChemSep and Electrolyte Databases)

  • Ammonia
  • Ammonium (ion)
  • Argon
  • Bicarbonate (ion)
  • Bisulfide (ion)
  • Bromine (ion)
  • Carbon dioxide
  • Carbon monoxide
  • Carbonate (ion)
  • Cesium (ion)
  • Cesium Bromide
  • Cesium Chloride
  • Cesium Iodide
  • Chloride (ion)
  • Ethylene
  • Helium
  • Hydrogen
  • Hydrogen chloride
  • Hydrogen sulfide
  • Hydron
  • Hydroxide
  • Iodine Ion
  • Lithium (ion)
  • Lithium Chloride
  • Magnesium Sulfate
  • Methane
  • Nitrate (ion)
  • Nitric acid
  • Nitrogen
  • Oxygen
  • Perchlorate (ion)
  • Potassium Bromide
  • Potassium Chloride
  • Potassium Iodide
  • Potassium Ion
  • Sodium (ion)
  • Sodium Bromide
  • Sodium Chloride
  • Sodium Hydroxide
  • Sodium Iodide
  • Sulfate (ion)
  • Sulfide (ion)
  • Sulfur dioxide
  • Sulfuric acid
  • Water
  • Xenon

Source Code

Support and Bug Reporting