Simulations of reactive transport and precipitation with smoothed particle hydrodynamics
Simulations of reactive transport and precipitation with smoothed particle hydrodynamics
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DOI：
10.1016/j.jcp.2006.08.013
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发表时间：
2007-03
期刊：
影响因子：
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通讯作者：
A. Tartakovsky;P. Meakin;Timothy Scheibe;R. West
中科院分区：
文献类型：
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作者：
A. Tartakovsky;P. Meakin;Timothy Scheibe;R. West
建立了基于光滑粒子流体动力学（SPH）的裂隙和多孔介质中反应输运和矿物沉淀的数值模型。由于其Lagrangian粒子性质，SPH在模拟Navier-Stokes流动和反应输运方面具有以下优点：（1）在Lagrangian框架下，动量守恒方程中没有非线性项，因此可以获得动量主导流动的精确解;（2）易于实现复杂的物理和化学过程，例如由于沉淀/溶解和化学反应而引起的表面生长。此外，SPH模拟显式地保持质量和线性动量守恒。将具有固定和移动反应性固-流边界的扩散方程的SPH解与解析解进行了比较，Lattice Boltzmann [Q.康氏D. Zhang，P. Lichtner，I. Tsimpanogiannis，Lattice Boltzmann model for crystal growth from supersaturated solution，Geophysical Research Letters，31（2004）L21604]模拟和扩散限制聚集（DLA）[P. Meakin，Fractals，scaling and far from equilibrium.剑桥大学出版社，剑桥，英国，1998]模型模拟。为了说明该模型的能力，耦合的三维流动，反应运输和沉淀在一个复杂的几何形状的裂缝孔进行了模拟。
A numerical model based on smoothed particle hydrodynamics (SPH) was developed for reactive transport and mineral precipitation in fractured and porous materials. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier–Stokes flow and reactive transport including: (1) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that accurate solutions can be obtained for momentum dominated flows and; (2) complicated physical and chemical processes such as surface growth due to precipitation/dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid–fluid boundaries was compared with analytical solutions, Lattice Boltzmann [Q. Kang, D. Zhang, P. Lichtner, I. Tsimpanogiannis, Lattice Boltzmann model for crystal growth from supersaturated solution, Geophysical Research Letters, 31 (2004) L21604] simulations and diffusion limited aggregation (DLA) [P. Meakin, Fractals, scaling and far from equilibrium. Cambridge University Press, Cambridge, UK, 1998] model simulations. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with a complex geometry were simulated.