Docs @ 31c938f

Author: MFC Action

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documentation/md_case.html

@@ -1170,9 +1170,31 @@ <h2><a class="anchor" id="autotoc_md30"></a>
 <ul>
 <li><code>bc_ybeg = -2</code> to enable reflective boundary conditions</li>
 </ul>
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+17. Chemistry</h2>
+<table class="markdownTable">
+<tr class="markdownTableHead">
+<th class="markdownTableHeadRight">Parameter   </th><th class="markdownTableHeadCenter">Type   </th><th class="markdownTableHeadLeft">Description    </th></tr>
+<tr class="markdownTableRowOdd">
+<td class="markdownTableBodyRight"><code>chemistry</code>   </td><td class="markdownTableBodyCenter">Logical   </td><td class="markdownTableBodyLeft">Enable chemistry simulation    </td></tr>
+<tr class="markdownTableRowEven">
+<td class="markdownTableBodyRight"><code>chem_paramsdiffusion</code>   </td><td class="markdownTableBodyCenter">Logical   </td><td class="markdownTableBodyLeft">Enable multispecies diffusion    </td></tr>
+<tr class="markdownTableRowOdd">
+<td class="markdownTableBodyRight"><code>chem_paramsreactions</code>   </td><td class="markdownTableBodyCenter">Logical   </td><td class="markdownTableBodyLeft">Enable chemical reactions    </td></tr>
+<tr class="markdownTableRowEven">
+<td class="markdownTableBodyRight"><code>chem_paramsgamma_method</code>   </td><td class="markdownTableBodyCenter">Integer   </td><td class="markdownTableBodyLeft">Methodology for calculating the heat capacity ratio    </td></tr>
+<tr class="markdownTableRowOdd">
+<td class="markdownTableBodyRight"><code>chem_paramstransport_model</code>   </td><td class="markdownTableBodyCenter">Integer   </td><td class="markdownTableBodyLeft">Methodology for calculating the diffusion coefficients    </td></tr>
+<tr class="markdownTableRowEven">
+<td class="markdownTableBodyRight"><code>cantera_file</code>   </td><td class="markdownTableBodyCenter">String   </td><td class="markdownTableBodyLeft">Cantera-format mechanism file (e.g., .yaml)   </td></tr>
+</table>
+<ul>
+<li><code>chem_paramstransport_model</code> specifies the methodology for calculating diffusion coefficients and other transport properties, <code>1</code> for mixture-average, <code>2</code> for Unity-Lewis</li>
+<li><code>cantera_file</code> specifies the chemical mechanism file. If the file is part of the standard Cantera library, only the filename is required. Otherwise, the file must be located in the same directory as your <code>case.py</code> file</li>
+</ul>
+<h1><a class="anchor" id="autotoc_md32"></a>
 Enumerations</h1>
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 Boundary conditions</h2>
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 <p>*: This boundary condition is only used for <code>bc_y%beg</code> when using cylindrical coordinates (<code>cyl_coord = 'T'</code> and 3D). For axisymmetric problems, use <code>bc_y%beg = -2</code> with <code>cyl_coord = 'T'</code> in 2D.</p>
 <p>The boundary condition supported by the MFC are listed in table Boundary Conditions. Their number (<code>#</code>) corresponds to the input value in <code>input.py</code> labeled <code>bc_[x,y,z]%[beg,end]</code> (see table Simulation Algorithm Parameters). The entries labeled "Characteristic." are characteristic boundary conditions based on <a class="el" href="md_references.html">Thompson (1987)</a> and <a class="el" href="md_references.html">Thompson (1990)</a>.</p>
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 Generalized Characteristic Boundary conditions</h2>
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 <td class="markdownTableBodyRight"><code>bc_[x,y,z]alpha_in</code>   </td><td class="markdownTableBodyCenter">Real Array   </td><td class="markdownTableBodyLeft">Inflow void fraction   </td></tr>
 </table>
 <p>This boundary condition can be used for subsonic inflow (<code>bc_[x,y,z]%[beg,end]</code> = -7) and subsonic outflow (<code>bc_[x,y,z]%[beg,end]</code> = -8) characteristic boundary conditions. These are based on <a class="el" href="md_references.html">Pirozzoli (2013)</a>. This enables to provide inflow and outflow conditions outside the computational domain.</p>
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 Patch types</h2>
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 <td class="markdownTableBodyRight">21   </td><td class="markdownTableBodyCenter">Model   </td><td class="markdownTableBodyCenter">2 &amp; 3   </td><td class="markdownTableBodyCenter">Y   </td><td class="markdownTableBodyLeft">Imports a Model (STL/OBJ). Requires <code>model%filepath</code>.   </td></tr>
 </table>
 <p>The patch types supported by the MFC are listed in table Patch Types. This includes types exclusive to one-, two-, and three-dimensional problems. The patch type number (<code>#</code>) corresponds to the input value in <code>input.py</code> labeled <code>patch_icpp(j)%geometry</code> where $j$ is the patch index. Each patch requires a different set of parameters, which are also listed in this table.</p>
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 Immersed Boundary Patch Types</h2>
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 <li><code>%support = 10</code> specifies an annular transducer array in 2D axisymmetric simulation. It is identical to <code>%support = 9</code> in terms of simulation parameters. It physically represents the a annulus obtained by revolving the arc in <code>%support = 9</code> around the x-axis.</li>
 <li><code>%support = 11</code> specifies a circular transducer array in 3D simulation. The total aperture of the array is <code>%aperture</code>, which is similar to <code>%support = 7</code>. The parameters <code>%num_elements</code>, <code>%element_polygon_ratio</code>, and <code>%rotate_angle</code> specify the number of transducer elements, the ratio of the polygon side length to the transducer element radius, and the rotation angle of the array. The polygon side length is calculated by using the total aperture as the circumcicle diameter, and the number of sides of the polygon as <code>%num_elements</code>. The ratio is used specify the aperture size of each transducer element in the array, as a ratio of the total aperture. The rotation angle is optional and defaults to 0. Physically it represents a circular ring of transducer elements.</li>
 </ul>
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 Conservative Variables Ordering</h2>
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 <td class="markdownTableBodyNone">hypoelastic variables   </td><td class="markdownTableBodyNone">N/A   </td></tr>
 </table>
 <p>The above variables correspond to optional physics.</p>
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 Primitive Variables Ordering</h2>
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documentation/md_case__constraints.html

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   <div class="headertitle"><div class="title">Case Creator Guide</div></div>
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 <blockquote class="doxtable">
 <p><b>Quick reference</b> for building MFC cases: working examples, compatibility rules, and configuration requirements. </p>
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 <p>Auto-generated from <code>case_validator.py</code> and <code>examples/</code>. </p>
 </blockquote>
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 🧩 Case Design Playbook</h1>
 <blockquote class="doxtable">
 <p><b>Learn by example:</b> The cases below are curated from MFC's <code>examples/</code> directory and are validated, working configurations. Use them as blueprints for building your own simulations. </p>
 </blockquote>
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 🟢 Beginner Examples</h2>
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 <p></p>
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 🟡 Intermediate Examples</h2>
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 </ul>
 <p></p>
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 🔴 Advanced Examples</h2>
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 </ul>
 <p></p>
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 🚀 Common Configuration Patterns</h1>
 <p>Start with these proven combinations:</p>
 <details  open="true">
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 <div class="line"><span class="stringliteral">&#39;hypoelasticity&#39;</span>: <span class="stringliteral">&#39;T&#39;</span>,        <span class="comment"># Elastic solids</span></div>
 <div class="line"><span class="stringliteral">&#39;riemann_solver&#39;</span>: 1,          <span class="comment"># HLL</span></div>
 </div><!-- fragment --> </details>
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 📊 Feature Compatibility</h1>
 <p>What works together:</p>
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 Physics Models</h2>
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 <td class="markdownTableBodyNone">Acoustic Sources   </td><td class="markdownTableBodyNone">—   </td><td class="markdownTableBodyNone">✓ General use   </td></tr>
 </table>
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 Bubble Models</h2>
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 <td class="markdownTableBodyNone">adv_n   </td><td class="markdownTableBodyNone">—   </td><td class="markdownTableBodyNone">✓ General use   </td></tr>
 </table>
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 Numerics</h2>
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 <td class="markdownTableBodyNone">MUSCL Order   </td><td class="markdownTableBodyNone">—   </td><td class="markdownTableBodyNone">✓ General use   </td></tr>
 </table>
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 Geometry</h2>
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 <td class="markdownTableBodyNone">Cylindrical Coordinates   </td><td class="markdownTableBodyNone">—   </td><td class="markdownTableBodyNone">✓ General use   </td></tr>
 </table>
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 🔢 Model Equations</h1>
 <p>Choose your governing equations:</p>
 <details >
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 <li><b>Requirements:</b> <code>num_fluids = 1</code>, set <code>rhoref</code> and <code>pref</code> </li>
 </ul>
 </details>
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 ⚙️ Riemann Solvers</h1>
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 <td class="markdownTableBodyNone"><b>Lax-Friedrichs</b>   </td><td class="markdownTableBodyNone"><code>5</code>   </td><td class="markdownTableBodyNone">Robust fallback   </td><td class="markdownTableBodyNone">Not with cylindrical+viscous   </td></tr>
 </table>
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 💧 Bubble Models</h1>
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 </ul>
 <p><b>Note:</b> Tracks individual bubbles </p>
 </details>
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 📖 Quick Parameter Reference</h1>
 <p>Key parameters and their constraints:</p>
 <details >