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). | ||
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. | ||
| + | |||
| + | <div class="fullwidth">[[File:ReaktoroOverview.png]]</div> | ||
| + | |||
| + | == 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) == | ||
| + | |||
| + | <div style="column-count:4;-moz-column-count:4;-webkit-column-count:4"> | ||
| + | * 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 | ||
| + | </div> | ||
| + | |||
| + | == Source Code == | ||
| + | |||
| + | * [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] | ||
| + | |||
| + | == Support and Bug Reporting == | ||
| + | |||
| + | * [https://github.com/DanWBR/dwsim/issues Property Package Library 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
