Multiscale Computational Approach to Enhance the Understanding, Design and Development of CO₂ Catalytic Conversion Technologies

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</div> <div class="card publication-listing mt-3 mb-3"> <h5 class="card-header" style="font-size:.9rem">Multiscale Computational Approach to Enhance the Understanding, Design and Development of CO₂ Catalytic Conversion Technologies</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Agnieszka%20S.%20Dzielendziak">Agnieszka S. Dzielendziak</a>, <a href="https://publications.waset.org/abstracts/search?q=Lindsay-Marie%20Armstrong"> Lindsay-Marie Armstrong</a>, <a href="https://publications.waset.org/abstracts/search?q=Matthew%20E.%20Potter"> Matthew E. Potter</a>, <a href="https://publications.waset.org/abstracts/search?q=Robert%20Raja"> Robert Raja</a>, <a href="https://publications.waset.org/abstracts/search?q=Pier%20J.%20A.%20Sazio"> Pier J. A. Sazio</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Reducing carbon dioxide, CO₂, is one of the greatest global challenges. Conversion of CO₂ for utilisation across synthetic fuel, pharmaceutical, and agrochemical industries offers a promising option, yet requires significant research to understanding the complex multiscale processes involved. To experimentally understand and optimize such processes at that catalytic sites and exploring the impact of the process at reactor scale, is too expensive. Computational methods offer significant insight and flexibility but require a more detailed multi-scale approach which is a significant challenge in itself. This work introduces a computational approach which incorporates detailed catalytic models, taken from experimental investigations, into a larger-scale computational flow dynamics framework. The reactor-scale species transport approach is modified near the catalytic walls to determine the influence of catalytic clustering regions. This coupling approach enables more accurate modelling of velocity, pressures, temperatures, species concentrations and near-wall surface characteristics which will ultimately enable the impact of overall reactor design on chemical conversion performance. <iframe src="https://publications.waset.org/abstracts/75812.pdf" style="width:100%; height:400px;" frameborder="0"></iframe> <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=catalysis" title="catalysis">catalysis</a>, <a href="https://publications.waset.org/abstracts/search?q=CCU" title=" CCU"> CCU</a>, <a href="https://publications.waset.org/abstracts/search?q=CO%E2%82%82" title=" CO₂"> CO₂</a>, <a href="https://publications.waset.org/abstracts/search?q=multi-scale%20model" title=" multi-scale model"> multi-scale model</a> </p> <a href="https://publications.waset.org/abstracts/75812/multiscale-computational-approach-to-enhance-the-understanding-design-and-development-of-co2-catalytic-conversion-technologies" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/75812.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">253</span> </span> </div> </div> </div> </main> <footer> <div id="infolinks" class="pt-3 pb-2"> <div class="container"> <div style="background-color:#f5f5f5;" class="p-3"> <div class="row"> <div class="col-md-2"> <ul class="list-unstyled"> About <li><a href="https://waset.org/page/support">About Us</a></li> <li><a href="https://waset.org/page/support#legal-information">Legal</a></li> <li><a target="_blank" rel="nofollow" href="https://publications.waset.org/static/files/WASET-16th-foundational-anniversary.pdf">WASET celebrates its 16th 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Multiscale Computational Approach to Enhance the Understanding, Design and Development of CO₂ Catalytic Conversion Technologies