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<!DOCTYPE html>
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<div class="announcement header-item noprint">🚀 Reaktoro v2 is finally out, after so many release candidates! This is the result of intense work over the last three years. Please let us know how to improve Reaktoro!</div>
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Reaktoro
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Get Started
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Installation
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Installation using Conda
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Installation using CMake
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Installation in Google Colab
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API Reference
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<a class="reference external" href="https://reaktoro.org/v1">
Reaktoro v1
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Tutorials
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Basics
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Importing Reaktoro
</a>
</li>
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<a class="reference internal" href="tutorials/basics/loading-databases.html">
Loading thermodynamic databases
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/basics/inspecting-databases.html">
Inspecting thermodynamic databases
</a>
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<a class="reference internal" href="tutorials/basics/defining-chemical-systems.html">
Defining chemical systems
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/basics/creating-chemical-states.html">
Creating chemical states
</a>
</li>
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<a class="reference internal" href="tutorials/basics/computing-chemical-properties.html">
Computing chemical properties
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/basics/computing-aqueous-properties.html">
Computing aqueous properties
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/basics/computing-thermo-props-of-species.html">
Computing standard thermodynamic properties of species
</a>
</li>
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<a class="reference internal" href="tutorials/basics/computing-thermo-props-of-reactions.html">
Computing standard thermodynamic properties of reactions
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/basics/specifying-activity-models.html">
Specifying activity models
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/basics/defining-materials.html">
Defining materials
</a>
</li>
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Chemical Equilibrium
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<a class="reference internal" href="tutorials/equilibrium/equilibrium-basics.html">
Chemical equilibrium: the basics
</a>
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<a class="reference internal" href="tutorials/equilibrium/equilibrium-specifying-constraints.html">
Chemical equilibrium with constraints
</a>
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<a class="reference internal" href="tutorials/equilibrium/equilibrium-with-fixed-ph.html">
Chemical equilibrium with fixed pH
</a>
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<li class="toctree-l2">
<a class="reference internal" href="tutorials/equilibrium/equilibrium-with-fixed-ph-charge-balance.html">
Chemical equilibrium with fixed pH and charge balance
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/equilibrium/equilibrium-with-fixed-phase-amount.html">
Chemical equilibrium with fixed phase amount
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/equilibrium/equilibrium-with-fixed-fugacity.html">
Chemical equilibrium with fixed fugacity
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/equilibrium/equilibrium-with-fixed-volume-internal-energy.html">
Chemical equilibrium with fixed volume and internal energy
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/equilibrium/equilibrium-with-custom-constraints.html">
Chemical equilibrium with custom constraints
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/equilibrium/equilibrium-with-given-component-amounts.html">
Chemical equilibrium with given element and charge amounts
</a>
</li>
</ul>
</li>
<li class="toctree-l1 has-children">
<a class="reference internal" href="tutorials/kinetics/index.html">
Chemical Kinetics
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<a class="reference internal" href="tutorials/kinetics/kinetics-basics.html">
Chemical kinetics: the basics
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/kinetics/kinetics-minerals-using-palandri-kharaka-model.html">
Chemical kinetics for mineral reactions using Palandri-Kharaka model
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="tutorials/kinetics/kinetics-minerals-custom-surface-area-models.html">
Chemical kinetics for mineral reactions using custom surface area models
</a>
</li>
</ul>
</li>
<li class="toctree-l1 has-children">
<a class="reference internal" href="tutorials/machine-learning/index.html">
Machine Learning
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<a class="reference internal" href="tutorials/machine-learning/machine-learning-basics.html">
Machine learning: the basics
</a>
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Advanced
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<a class="reference internal" href="tutorials/advanced/creating-custom-databases.html">
Creating thermodynamic databases
</a>
</li>
</ul>
</li>
<li class="toctree-l1">
<a class="reference internal" href="tutorials/bibliography.html">
Bibliography
</a>
</li>
</ul>
<p aria-level="2" class="caption" role="heading">
<span class="caption-text">
Applications
</span>
</p>
<ul class="nav bd-sidenav">
<li class="toctree-l1 has-children">
<a class="reference internal" href="applications/solubility/index.html">
Solubility
</a>
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<li class="toctree-l2">
<a class="reference internal" href="applications/solubility/solubility-calcite-on-acidity-and-temperature.html">
Calcite solubility in water, rainwater, and seawater
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="applications/solubility/solubility-co2-on-salinity-and-temperature.html">
Carbon-dioxide solubility in brines with different salinity and temperature
</a>
</li>
</ul>
</li>
<li class="toctree-l1 has-children">
<a class="reference internal" href="applications/geochemistry/index.html">
Geochemistry
</a>
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<a class="reference internal" href="applications/geochemistry/ph-dependence-on-co2-addition-in-seawater.html">
Carbon dioxide (CO₂) dissolution in seawater
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="applications/geochemistry/ph-dependence-on-contaminants-in-water.html">
pH-dependence on added contaminants in water
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="applications/geochemistry/evian-water-analysis.html">
Analysis of the Evian water
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="applications/geochemistry/opening-bottle-with-sparkling-water.html">
Opening bottle with sparkling water
</a>
</li>
<li class="toctree-l2">
<a class="reference internal" href="applications/geochemistry/uraniun-speciation-vs-pH.html">
Uranium (VI) speciation as a function of pH at fixed CO
<sub>
2
</sub>
partial pressure
</a>
</li>
<li class="toctree-l2">
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<h1>Reaktoro’s Jupyter Book</h1>
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<h1>Reaktoro’s Jupyter Book<a class="headerlink" href="#reaktoro-s-jupyter-book" title="Permalink to this headline">#</a></h1>
<p>This project documents how Reaktoro’s Python API can be used for several chemical modeling examples.</p>
<p>To build this project, follow the steps below, assuming you are in its root directory:</p>
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<li><p>Create a conda environment with <code class="docutils literal notranslate"><span class="pre">conda</span> <span class="pre">env</span> <span class="pre">create</span> <span class="pre">-f</span> <span class="pre">environment.yml</span></code></p></li>
<li><p>Activate the created environment <code class="docutils literal notranslate"><span class="pre">conda</span> <span class="pre">activate</span> <span class="pre">reaktoro-jupyter-book</span></code></p></li>
<li><p>Build the project with <code class="docutils literal notranslate"><span class="pre">jupyter-book</span> <span class="pre">build</span> <span class="pre">.</span></code></p></li>
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