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SUMMARY:Developing an In-house Compositional Reactive Transport Simulator for Underground CO2 storage
DESCRIPTION:<div>&nbsp;</div>\n<div>\n<p class="p2" style="color: #006fc0; margin: 0px; line-height: normal;"><span class="s1" style="line-height: normal; color: #000000;">By Alikbar Roozshenas</span><strong><span class="Apple-converted-space"></span></strong></p>\n<p class="p3" style="margin: 0px; line-height: normal;"><span class="s2" style="line-height: normal;"><strong>&nbsp;</strong></span></p>\n<p class="p3" style="margin: 0px; line-height: normal;"><span class="s2" style="line-height: normal;"><strong>Abstract </strong></span>Geological CO₂ sequestration (GCS) is a critical strategy for mitigating anthropogenic CO₂ emissions. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">It involves tightly coupled multiphase flow, chemical reactions, geomechanics, and thermal effects across multiple spatial and temporal scales. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">In reactive transport modeling, the first two processes are central, as they govern long‑term CO₂ trapping and the evolution of reservoir properties. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">A reactive transport simulator integrates two main components: a flow module that computes saturation and pressure distributions, and a geochemical package for species consumption and production due to chemical reactions. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">Developing such a multiphysics model requires coupling fluid flow, solute transport, and reaction equations into a unified simulator.<span class="Apple-converted-space"></span></p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">In this study, we develop a reactive transport simulator based on the global implicit method. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">The simulator couples an in-house compositional reservoir simulator with a proprietary chemical-phase equilibrium (CPE) package. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">The CPE module uses the modified RAND algorithm, as described by Paterson et al. (Paterson, 2019), to solve the chemical and phase equilibrium problem simultaneously by minimizing the Gibbs free energy. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">This non-stoichiometric formulation enables fast and robust equilibrium calculations and is therefore well suited for large-scale reactive transport simulations. we additionally account for kinetic reactions and their time-dependent effects on porosity and permeability, allowing the model to represent the dynamic coupling between geochemical processes and evolving flow properties. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">The following figure illustrates the porosity-permeability changes in a 1D CO<span class="s3" style="line-height: normal;">2 </span>injection into a formation initially in equilibrium with calcite.<span class="Apple-converted-space"></span></p>\n<p class="p4" style="margin: 0px; line-height: normal; text-align: left;"><strong><img alt="Aliakbar Roozshenas" style="height: 212px; width: 600px; left: 62.1164px;" src="-/media/d196a50df50b484c90f940f7e2a6eb72.ashx?h=212&amp;w=600" /></strong></p>\n<p class="p4" style="margin: 0px; line-height: normal; text-align: left;"><strong>&nbsp;</strong></p>\n<p class="p4" style="margin: 0px; line-height: normal;"><strong>References<span class="Apple-converted-space"></span></strong></p>\n<p class="p4" style="margin: 0px; line-height: normal;">[1] E. Ahusborde, B. Amaziane, and M. El Ossmani, &ldquo;Improvement of numerical approximation of coupled multiphase multicomponent flow with reactive geochemical transport in porous media,&rdquo; <em>Oil &amp; Gas Science and Technology&ndash;Revue d&rsquo;IFP Energies nouvelles</em>, vol. 73, p. 73, 2018.<span class="Apple-converted-space"></span></p>\n</div>
X-ALT-DESC;FMTTYPE=text/html:<div>&nbsp;</div>\n<div>\n<p class="p2" style="color: #006fc0; margin: 0px; line-height: normal;"><span class="s1" style="line-height: normal; color: #000000;">By Alikbar Roozshenas</span><strong><span class="Apple-converted-space"></span></strong></p>\n<p class="p3" style="margin: 0px; line-height: normal;"><span class="s2" style="line-height: normal;"><strong>&nbsp;</strong></span></p>\n<p class="p3" style="margin: 0px; line-height: normal;"><span class="s2" style="line-height: normal;"><strong>Abstract </strong></span>Geological CO₂ sequestration (GCS) is a critical strategy for mitigating anthropogenic CO₂ emissions. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">It involves tightly coupled multiphase flow, chemical reactions, geomechanics, and thermal effects across multiple spatial and temporal scales. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">In reactive transport modeling, the first two processes are central, as they govern long‑term CO₂ trapping and the evolution of reservoir properties. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">A reactive transport simulator integrates two main components: a flow module that computes saturation and pressure distributions, and a geochemical package for species consumption and production due to chemical reactions. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">Developing such a multiphysics model requires coupling fluid flow, solute transport, and reaction equations into a unified simulator.<span class="Apple-converted-space"></span></p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">In this study, we develop a reactive transport simulator based on the global implicit method. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">The simulator couples an in-house compositional reservoir simulator with a proprietary chemical-phase equilibrium (CPE) package. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">The CPE module uses the modified RAND algorithm, as described by Paterson et al. (Paterson, 2019), to solve the chemical and phase equilibrium problem simultaneously by minimizing the Gibbs free energy. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">This non-stoichiometric formulation enables fast and robust equilibrium calculations and is therefore well suited for large-scale reactive transport simulations. we additionally account for kinetic reactions and their time-dependent effects on porosity and permeability, allowing the model to represent the dynamic coupling between geochemical processes and evolving flow properties. </p>\n<p class="p3" style="margin: 0px; line-height: normal;">&nbsp;</p>\n<p class="p3" style="margin: 0px; line-height: normal;">The following figure illustrates the porosity-permeability changes in a 1D CO<span class="s3" style="line-height: normal;">2 </span>injection into a formation initially in equilibrium with calcite.<span class="Apple-converted-space"></span></p>\n<p class="p4" style="margin: 0px; line-height: normal; text-align: left;"><strong><img alt="Aliakbar Roozshenas" style="height: 212px; width: 600px; left: 62.1164px;" src="-/media/d196a50df50b484c90f940f7e2a6eb72.ashx?h=212&amp;w=600" /></strong></p>\n<p class="p4" style="margin: 0px; line-height: normal; text-align: left;"><strong>&nbsp;</strong></p>\n<p class="p4" style="margin: 0px; line-height: normal;"><strong>References<span class="Apple-converted-space"></span></strong></p>\n<p class="p4" style="margin: 0px; line-height: normal;">[1] E. Ahusborde, B. Amaziane, and M. El Ossmani, &ldquo;Improvement of numerical approximation of coupled multiphase multicomponent flow with reactive geochemical transport in porous media,&rdquo; <em>Oil &amp; Gas Science and Technology&ndash;Revue d&rsquo;IFP Energies nouvelles</em>, vol. 73, p. 73, 2018.<span class="Apple-converted-space"></span></p>\n</div>

URL:https://www.cere.dtu.dk/da/Calendar/2026/09/Developing-an-In-house-Compositional-Reactive-Transport-Simulator-for-Underground-CO2-storage
DTSTAMP:20260915T141500Z
UID:{11812511-885F-448B-AA33-81FD2B89E8C4}-20260917T071500Z-20260917T071500Z
LOCATION: Building 229/003
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