Difference between revisions of "Aqueous Electrolytes Property Package"
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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). | ||
Revision as of 23:36, 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.
Contents
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:
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):
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
