| _version_ | 1866901689581174784 |
|---|---|
| author | KUNDU, SAHIL Mishra, Manoranjan |
| author_facet | KUNDU, SAHIL Mishra, Manoranjan |
| contents | <h3>Project Description</h3> <p>This repository contains the numerical implementation and data for investigating hydrodynamic instabilities in a coupled Brinkman-flow and chemical reaction-diffusion system. The model specifically simulates <strong>viscous and density fingering</strong> occurring when two miscible fluids react to form a third product (A + B -> C) within a vertical porous domain.</p> <p>The implementation focuses on the non-linear coupling between flow and chemistry, in which the fluid density and viscosity depend on the local concentrations of chemical species.</p> <h3>Technical Specifications</h3> <ul> <li> <p><strong>Software:</strong> COMSOL Multiphysics® v6.3</p> </li> <li> <p><strong>Formulation:</strong> Full Velocity-Pressure-Concentration coupling (Non-pressure formulation)</p> </li> <li> <p><strong>Interface:</strong> Weak Form PDE (Mathematics Module)</p> </li> <li> <p><strong>Mesh:</strong> Approximately 125,500 triangular elements with refinement at the interface</p> </li> <li> <p><strong>Solver:</strong> Time-dependent Implicit BDF (orders 1–5)</p> </li> </ul> <h3>Mathematical Model</h3> <p>The system solves the following coupled PDEs:</p> <ul> <li> <p><strong>Incompressibility:</strong> $\nabla \cdot \mathbf{u} = 0$</p> </li> <li> <p><strong>Brinkman Momentum:</strong> $\frac{\partial \mathbf{u}}{\partial t} + \frac{\mu(c)}{K}\mathbf{u} = -\nabla p + \mu_{e} \Delta \mathbf{u} - \rho(a,c) \mathbf{g}$</p> </li> <li> <p><strong>Species Transport:</strong> $\frac{\partial \phi_i}{\partial t} + \mathbf{u} \cdot \nabla \phi_i = d_i \Delta \phi_i \pm \kappa ab$ (for $\phi_i = a, b, c$)</p> </li> </ul> <h3>Constitutive Relations</h3> <ul> <li> <p><strong>Density:</strong> $\rho(a, c) = 1 + \alpha_A a + \alpha_C c$</p> </li> <li> <p><strong>Viscosity:</strong> $\mu(c) = \exp(Rc)$</p> </li> </ul> <h3>File Structure</h3> <ul> <li> <p><strong>weak_form_k_0_1_2.mph</strong>: The master COMSOL model file including physics settings and study configurations.</p> </li> <li> <p><strong>Numerical_Data/</strong>: Exported data tables for concentration profiles and fingering metrics.</p> </li> </ul> <h3>Instructions for Use</h3> <ol> <li> <p><strong>Open the .mph file</strong> in COMSOL Multiphysics® 6.3.</p> </li> <li> <p><strong>Parameters:</strong> Adjust the log-mobility ratio ($R$), buoyancy coefficients ($\alpha_A, \alpha_C$), and reaction rate ($\kappa$) in the <em>Global Definitions > Parameters</em> section.</p> </li> <li> <p><strong>Initial Condition:</strong> The interface is located at $y=100$. Random perturbations are generated using the <code>rn1</code> function to trigger fingering.</p> </li> <li> <p><strong>Execution:</strong> Right-click <em>Study 1</em> and select <em>Compute</em>.</p> <ul> <li> <p><em>Note: Due to high mesh density, a minimum of 16GB RAM is recommended.</em></p> </li> </ul> </li> </ol> <h3>Citation</h3> <p>If you use these models or data in your research, please cite:</p> <blockquote> <p><strong>Kundu, S.</strong>, Mishra, M. "Numerical Implementation of A+B -> C Reactive Flow in Porous Media," Zenodo (2026). 10.5281/zenodo.18887561</p> </blockquote> <h3>Contact</h3> <p><strong>Sahil Kundu</strong> (PhD Student) & <strong>Prof. Manoranjan Mishra</strong> (Advisor) <br>Department of Mathematics, Indian Institute of Technology Ropar</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18887561 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Numerical Simulation Data and COMSOL Models for Reactive Fingering ($A+B \rightarrow C$) in Porous Media KUNDU, SAHIL Mishra, Manoranjan Reactive Flow, A + B -> C, Reactive Fingering, Porous Media, COMSOL Multiphysics, Hydrodynamic Instability, Miscible Displacement Density fingering , Viscous fingering <h3>Project Description</h3> <p>This repository contains the numerical implementation and data for investigating hydrodynamic instabilities in a coupled Brinkman-flow and chemical reaction-diffusion system. The model specifically simulates <strong>viscous and density fingering</strong> occurring when two miscible fluids react to form a third product (A + B -> C) within a vertical porous domain.</p> <p>The implementation focuses on the non-linear coupling between flow and chemistry, in which the fluid density and viscosity depend on the local concentrations of chemical species.</p> <h3>Technical Specifications</h3> <ul> <li> <p><strong>Software:</strong> COMSOL Multiphysics® v6.3</p> </li> <li> <p><strong>Formulation:</strong> Full Velocity-Pressure-Concentration coupling (Non-pressure formulation)</p> </li> <li> <p><strong>Interface:</strong> Weak Form PDE (Mathematics Module)</p> </li> <li> <p><strong>Mesh:</strong> Approximately 125,500 triangular elements with refinement at the interface</p> </li> <li> <p><strong>Solver:</strong> Time-dependent Implicit BDF (orders 1–5)</p> </li> </ul> <h3>Mathematical Model</h3> <p>The system solves the following coupled PDEs:</p> <ul> <li> <p><strong>Incompressibility:</strong> $\nabla \cdot \mathbf{u} = 0$</p> </li> <li> <p><strong>Brinkman Momentum:</strong> $\frac{\partial \mathbf{u}}{\partial t} + \frac{\mu(c)}{K}\mathbf{u} = -\nabla p + \mu_{e} \Delta \mathbf{u} - \rho(a,c) \mathbf{g}$</p> </li> <li> <p><strong>Species Transport:</strong> $\frac{\partial \phi_i}{\partial t} + \mathbf{u} \cdot \nabla \phi_i = d_i \Delta \phi_i \pm \kappa ab$ (for $\phi_i = a, b, c$)</p> </li> </ul> <h3>Constitutive Relations</h3> <ul> <li> <p><strong>Density:</strong> $\rho(a, c) = 1 + \alpha_A a + \alpha_C c$</p> </li> <li> <p><strong>Viscosity:</strong> $\mu(c) = \exp(Rc)$</p> </li> </ul> <h3>File Structure</h3> <ul> <li> <p><strong>weak_form_k_0_1_2.mph</strong>: The master COMSOL model file including physics settings and study configurations.</p> </li> <li> <p><strong>Numerical_Data/</strong>: Exported data tables for concentration profiles and fingering metrics.</p> </li> </ul> <h3>Instructions for Use</h3> <ol> <li> <p><strong>Open the .mph file</strong> in COMSOL Multiphysics® 6.3.</p> </li> <li> <p><strong>Parameters:</strong> Adjust the log-mobility ratio ($R$), buoyancy coefficients ($\alpha_A, \alpha_C$), and reaction rate ($\kappa$) in the <em>Global Definitions > Parameters</em> section.</p> </li> <li> <p><strong>Initial Condition:</strong> The interface is located at $y=100$. Random perturbations are generated using the <code>rn1</code> function to trigger fingering.</p> </li> <li> <p><strong>Execution:</strong> Right-click <em>Study 1</em> and select <em>Compute</em>.</p> <ul> <li> <p><em>Note: Due to high mesh density, a minimum of 16GB RAM is recommended.</em></p> </li> </ul> </li> </ol> <h3>Citation</h3> <p>If you use these models or data in your research, please cite:</p> <blockquote> <p><strong>Kundu, S.</strong>, Mishra, M. "Numerical Implementation of A+B -> C Reactive Flow in Porous Media," Zenodo (2026). 10.5281/zenodo.18887561</p> </blockquote> <h3>Contact</h3> <p><strong>Sahil Kundu</strong> (PhD Student) & <strong>Prof. Manoranjan Mishra</strong> (Advisor) <br>Department of Mathematics, Indian Institute of Technology Ropar</p> |
| title | Numerical Simulation Data and COMSOL Models for Reactive Fingering ($A+B \rightarrow C$) in Porous Media |
| topic | Reactive Flow, A + B -> C, Reactive Fingering, Porous Media, COMSOL Multiphysics, Hydrodynamic Instability, Miscible Displacement Density fingering , Viscous fingering |
| url | https://doi.org/10.5281/zenodo.18887561 |