Difference between revisions of "Aqueous Electrolytes Property Package"

From DWSIM - Open Source Chemical Process Simulator
Jump to navigation Jump to search
(Created page with "= Electrolyte Property Package (Reaktoro Backend) = This is an Aqueous Electrolytes Property Package for DWSIM based on Reaktoro (https://reaktoro.org). Reaktoro is a comput...")
 
m
Line 1: Line 1:
−
= Electrolyte Property Package (Reaktoro Backend) =
 
−
 
 
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).
  
 
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.
 
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.
 +
 +
== Features ==
 +
 +
* Supports calculation of chemical equilibria in the aqueous and gaseous phase
 +
* Automatically calculates 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
 +
* Salt
 +
* Sodium (ion)
 +
* Sodium Bromide
 +
* Sodium Chloride
 +
* Sodium Hydroxide
 +
* Sodium Iodide
 +
* Sulfate (ion)
 +
* Sulfide (ion)
 +
* Sulfur dioxide
 +
* Sulfuric acid
 +
* Water
 +
* Xenon
 +
 +
== 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 ==
 +
 +
[https://github.com/DanWBR/ReaktoroPropertyPackage View and Download Property Package Library Source]
 +
[https://github.com/reaktoro/reaktoro View and Download Reaktoro Source]
 +
 +
== Support and Bug Reporting ==
 +
 +
[https://github.com/DanWBR/ReaktoroPropertyPackage/issues Property Package Library specific Issues]
 +
[https://github.com/reaktoro/reaktoro/issues Reaktoro-specific Issues]

Revision as of 23:35, 23 August 2020

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.

Features

  • Supports calculation of chemical equilibria in the aqueous and gaseous phase
  • Automatically calculates 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
  • Salt
  • Sodium (ion)
  • Sodium Bromide
  • Sodium Chloride
  • Sodium Hydroxide
  • Sodium Iodide
  • Sulfate (ion)
  • Sulfide (ion)
  • Sulfur dioxide
  • Sulfuric acid
  • Water
  • Xenon

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:

Reaktoro.png

Download Link: 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):

ReaktoroPP.png

Source Code

View and Download Property Package Library Source View and Download Reaktoro Source

Support and Bug Reporting

Property Package Library specific Issues Reaktoro-specific Issues

Retrieved from "https://dwsim.org/wiki/index.php?title=Aqueous_Electrolytes_Property_Package&oldid=512"