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Computing chemical properties
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Computing standard thermodynamic properties of species
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Computing standard thermodynamic properties of reactions
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Defining materials
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Chemical Equilibrium
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Chemical equilibrium: the basics
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Chemical equilibrium with constraints
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Chemical equilibrium with fixed pH
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Chemical equilibrium with fixed pH and charge balance
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Chemical equilibrium with fixed fugacity
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General
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Citing
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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>
<ol class="simple">
<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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