Tools for the simulation of multicomponent vapour-liquid flows

多组分汽液流在许多工业应用和自然过程中至关重要。最近，调查这种多相流的基本方面的研究数量迅速增长，主要是由于对改善现有工业过程和使用数值分析，微流体和纳米技术的新进展开发更有效的设备的兴趣。尽管最近做出了这些努力，但在对这些复杂现象的基本理解方面仍然存在重大知识差距，因此使用计算流体动力学（CFD）工具进行详细建模和模拟仍然是一项非常困难的任务。 该研究计划的主要目标是通过开发更好的模拟计算工具并应用这些工具来改善工业过程，从而促进对汽液流动的基本理解。具体重点是研究的四个关键阶段。首先，将开发一个计算模型来研究天然气水合物的形成及其对通过气-液界面的传质的影响。第二，该模型将得到扩展，以提高其效率，允许模拟大规模系统，如那些常见的化学加工和石油和天然气工业。第三，将开发用于乙醇分离的更节能的混合蒸馏-渗透蒸发系统，这将有助于提高乙醇作为生物燃料的可行性。最后，将开发一种用于丁醇分离的节能混合蒸馏-膜接触器系统，这将有助于提高丁醇作为潜在生物燃料的可行性。总之，这些研究工作将导致高素质的人才在先进的计算技术和实验方法，这将支持加拿大未来的经济发展的培训。此外，这项研究将导致新的计算工具的开发，化学分离过程的改进和汽液流动的基本理解的进步，所有这些都将有助于推动未来的经济发展。

Multicomponent vapour-liquid flows are critically important in many industrial applications and natural processes. Recently, there has been a rapid growth in the number of studies investigating the fundamental aspects of such multiphase flows, primarily driven by interest in improving existing industrial processes and the development of more efficient devices using new advances in numerical analysis, microfluidics and nanotechnology. Despite these recent efforts, significant knowledge gaps remain in the fundamental understanding of these complex phenomena, and therefore detailed modeling and simulation using computational fluid dynamics (CFD) tools remains a very difficult task. The primary objective of this research program is to advance the fundamental understanding of vapour-liquid flows by developing better computational tools for their simulation and applying these tools to improve industrial processes. The specific focus is on four key stages of research. First, a computational model will be developed to study the formation of natural gas hydrates and their impact on mass transfer through the gas-liquid interface. Second, this model will be extended to improve its efficiency to permit simulation of large-scale systems, such as those commonly found in the chemical processing and oil and gas industries. Third, a more energy efficient hybrid distillation-pervaporation system for ethanol separation will be developed, which will help to improve the viability of ethanol as a biofuel. Finally, an energy efficient hybrid distillation-membrane contactor system for butanol separation will be developed, which will help to improve the viability of butanol as a potential biofuel. Altogether, these research efforts will lead to the training of Highly Qualified Personnel in advanced computational techniques and experimental methods, which will support future economic development in Canada. Furthermore, this research will result in the development of new computational tools, improvement of chemical separation processes and advancement in the fundamental understanding of vapour-liquid flows, all of which will help to drive future economic development.