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). | ||
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== Features == | == Features == | ||
| − | * Supports calculation of chemical equilibria in | + | * Supports calculation of chemical equilibria in aqueous and gaseous phase |
| − | * Automatically | + | * 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 | ||
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== 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) | ||
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* Potassium Iodide | * Potassium Iodide | ||
* Potassium Ion | * Potassium Ion | ||
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* Sodium (ion) | * Sodium (ion) | ||
* Sodium Bromide | * Sodium Bromide | ||
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* Water | * Water | ||
* Xenon | * Xenon | ||
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== 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/ | + | * [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.
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
