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

计算流体力学使我们能够详细研究工业过程中的流体动力学、热传递、传质和反应。事实上，在许多情况下，详细的模拟是收集关于此类过程中的限速步骤的局部规模信息的唯一可行的方法，因为实验方法可能要么不可用，要么太复杂，或者太昂贵。因此，计算流体力学方法已成为分析、优化、设计和开发具有广泛应用前景的创新强化工艺技术的重要工具。然而，尽管近年来取得了很大的进展，但对于复杂的几何形状、复杂的操作条件、流型之间的转变和/或传输过程之间的强耦合的气液两相流动的精确模拟仍然非常困难。解决现有模拟工具中的这些不足，将有助于开发更好的工程系统和更高效的工艺技术，这将导致许多工业部门(包括可再生燃料、化学品、精细化学品和药品生产)更安全的运行、减少废物产生和减少能源消耗。在这项研究计划中，我们将通过对浆态鼓泡塔反应器的研究，开发新的工具来模拟具有传质、传热和反应的气液流动，该反应器将用于二氧化碳与可再生氢气的甲烷化生产合成天然气。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，该研究计划将推进加拿大减少温室气体排放、开发更多可再生能源和实施氢气经济的目标。此外，这项研究提供的新开发的计算工具和对气液流动基本理解的进展将使流程工业未来的技术创新成为可能。此外，这些研究工作将导致培训一批高级计算技术和实验方法方面的高素质人员，这将支持加拿大未来知识经济的发展，特别是在工程咨询和加工行业。

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.