多孔介质内多相多组分Peng-Robinson流体输运过程的高效格子Boltzmann方法研究

多孔介质内的多相多组分流体输运过程广泛存在于能源、环境、化工等众多领域，对其开展研究对能源高效开发和环境保护具有重要指导意义。该问题涉及到流-固相互作用、相界面的产生和运动以及多个组分流动与扩散等物理过程，给数值研究带来了极大的困难和挑战。基于动理学理论发展而来的格子Boltzmann(LB)方法虽然在处理此类问题时有较大的优势和潜力，但仍需发展和改进。本项目拟采用基于扩散界面理论的LB方法，选取能够定量描述地下油井中各种有机组分流动性质的Peng-Robinson(P-R)自由能模型，开展如下研究：(1) 针对基于P-R自由能模型的多相多组分流体，发展能量稳定的高效LB方法；(2) 构建准确刻画流体与壁面相互作用的润湿性边界条件；(3) 设计基于CPU+GPU异构系统的高效并行算法，对真实三维多孔介质内的P-R流体输运过程进行数值模拟，并分析其流动机理。

The multi-phase and multi-component fluid transport in porous media widely exists in the energy, environment and industrial applications. The study of this problem has the guide meaning for the energy development and environment protection. This problem involves liquid solid reaction, the generation and motion of phase interface and multi-component flow and diffusion, which brings significant difficulty and challenge to the numerical research. Although the lattice Boltzmann (LB) method that based on mesoscopic kinetic theory has great advantages and potentials, it still needs further research and development. Thus, we will adopt the diffuse interface based LB method in this program research, where the Peng-Robinson (P-R) free energy model is chosen to describe the real flow state of each hydrocarbon component of crude oil. The research topics include: (1) aimed at the P-R free energy based multiphase and multicomponent fluid, developing the energy stable LB method; (2) building wetting boundary condition that can accurately describe the interaction of the fluid and the solid; (3) designing principle and technology of high-performance algorithm under "CPU+GPU" heterogeneous computing architectures, and numerical simulating the realistic P-R fluid transport in three dimensional porous media and analyzing the fluidic mechanism.