Multiscale Simulation of Local Mass Transfer in Gas-Liquid Flows - Expanding the Toolbox for Advanced Process Equipment Design

计算流体动力学使流体动力学，传热，传质和工业过程中的反应的详细研究。事实上，在许多情况下，详细的模拟是收集这些过程中速率限制步骤的局部尺度信息的唯一可行方法，因为实验方法要么不可用，要么太复杂，要么太昂贵。因此，计算流体动力学方法已成为分析、优化、设计和开发创新强化工艺技术的重要工具，具有广泛的应用。然而，尽管近年来取得了重大进展，但精确模拟涉及复杂几何形状、大范围长度尺度、复杂操作条件、流型之间的转换和/或输运过程之间的强耦合的气液流动仍然非常困难。解决当前可用模拟工具的这些缺陷将有助于开发更好的工程系统和更有效的工艺技术，这将导致更安全的操作，减少废物产生，并减少许多工业部门的能源使用，包括可再生燃料，化学品，精细化学品和药品生产。在这个研究项目中，我们将开发新的工具，通过对浆液泡塔反应器的研究，模拟具有传质、传热和反应的气液流动，该反应器将用于二氧化碳甲烷化和可再生氢生产合成天然气。由于甲烷化可以实现二氧化碳和可再生氢的转化，同时生产一种方便的燃料，可以很容易地整合到现有的燃料分配和利用基础设施中，这个研究项目将推进加拿大减少温室气体排放的目标，开发更多的可再生能源，并实施氢经济。此外，新开发的计算工具和本研究提供的对气液流动的基本理解的进步将使未来的工艺工业技术创新成为可能。此外，这些研究工作将培养一批具有先进计算技术和实验方法的高素质人才，这将支持加拿大知识经济的未来发展，特别是在工程咨询和过程工业方面。

Computational fluid dynamics enables the detailed study of fluid dynamics, heat transfer, mass transfer, and reactions in industrial processes. In fact, in many cases, detailed simulation is the only feasible method to gather local-scale information about the rate-limiting steps in such processes because experimental methods may be either unavailable, too complex, or too expensive. Consequently, computational fluid dynamics methods have become an important tool for the analysis, optimization, design, and development of innovative intensified process technologies for a wide range of applications. However, despite significant advances in recent years, it is still very difficult to accurately simulate gas-liquid flows that involve complex geometries with a wide range of length scales, complex operating conditions, transitions between flow regimes, and/or strong coupling between transport processes. Addressing these deficiencies in currently available simulation tools will facilitate the development of better engineered systems and more efficient process technologies, which will lead to safer operation, reduced waste production, and decreased energy usage in many industry sectors including renewable fuels, chemicals, fine chemicals, and pharmaceuticals production. In this research program, we will develop new tools for the simulation of gas-liquid flows with mass transfer, heat transfer, and reactions through the study of slurry bubble column reactors that will be used for carbon dioxide methanation with renewable hydrogen to produce synthetic natural gas. Since methanation enables carbon dioxide and renewable hydrogen conversion while producing a convenient fuel that can be easily integrated into existing fuel distribution and utilization infrastructure, this research program will advance Canada's goals to reduce greenhouse gas emissions, exploit more renewable energy sources, and implement a hydrogen-based economy. Furthermore, the newly developed computational tools and advances in the fundamental understanding of gas-liquid flows provided by this research will enable future technological innovation in the process industries. Additionally, these research efforts will lead to the training of a diverse group of Highly Qualified Personnel in advanced computational techniques and experimental methods, which will support future development of Canada's knowledge-based economy, particularly in the engineering consulting and process industries.