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Tanyakarn Treeratanaphitak

Publications and source records attributed to Tanyakarn Treeratanaphitak.

4 recordsLinked to original sources

Diffuse-Interface Blended Method for Imposing Physical Boundaries in Two-Fluid Flows

Multiphase flows are commonly found in chemical engineering processes such as distillation columns, bubble columns, fluidized beds and heat exchangers. The physical boundaries of domains in numerical simulations of multiphase flows are generally defined by a conformal unstructured mesh which, depending on the complexity of the physical system, results in time-consuming mesh generation which frequently requires user-intervention. Furthermore, the resulting conformal unstructured mesh could potentially contain a large number of skewed elements, which is undesirable for numerical stability and accuracy. The diffuse-interface approach allows for the use of a simple structured meshes to be used while still capturing the desired physical (e.g., solid-fluid) boundaries. In this work, a novel diffuse-interface method for the imposition of physical boundaries is developed for the incompressible two-fluid multiphase flow model. This model is appropriate for dispersed multiphase flows which are pervasive in chemical engineering processes, in that this flow regime results in high levels of mass and energy transfer between phases. A diffuse interface is used to define the physical boundaries and boundary conditions are imposed by blending the conservation equations from the two-fluid model with that of the nondeformable solid. The results from the diffuse-interface method are compared with results from a conformal unstructured mesh for different interface functions and widths. For small interface widths, the accuracy of the flow profile is unaffected by the choice of interface function and the phase fraction distribution and flow behavior are within 3% compared to those from a conformal mesh. As the interface width increases, the diffuse-interface solution deviates from the conformal mesh solution in both the localized gas fraction and the overall gas hold-up, resulting in a difference up to 30%.

physics.flu-dyn

Phase-bounded finite element method for two-fluid incompressible flow systems

An understanding of the hydrodynamics of multiphase processes is essential for their design and operation. Multiphase computational fluid dynamics (CFD) simulations enable researchers to gain insight which is inaccessible experimentally. The model frequently used to simulate these processes is the two-fluid (Euler-Euler) model where fluids are treated as inter-penetrating continua. It is formulated for the multiphase flow regime where one phase is dispersed within another and enables simulation on experimentally relevant scales. Phase fractions are used to describe the composition of the mixture and are bounded quantities. Consequently, numerical solution methods used in simulations must preserve boundedness for accuracy and physical fidelity. In this work, a numerical method for the two-fluid model is developed in which phase fraction constraints are imposed through the use of an nonlinear variational inequality solver which implicitly imposes inequality constraints. The numerical method is verified and compared to an established explicit numerical method.

math.NA

Atomistic Kinetic Monte Carlo Simulations of Polycrystalline Copper Electrodeposition

A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N. M. Abukhdeir, Electrochim. Acta 121 (2014) 407--414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been extended to model polycrystalline metal electrodeposition. Simulations using KMC-EAM are performed over a range of overpotentials to predict the effect on deposit texture evolution. Roughness-time power law behaviour ($\propto t^β$) is observed where $β=0.62 \pm 0.12$, which is in good agreement with past experimental results. Furthermore, the simulations provide insights into the dynamics of sub-surface deposit morphology which are not directly accessible from experimental measurements.

physics.chem-ph

Kinetic Monte Carlo Simulation of Electrodeposition using the Embedded-Atom Method

A kinetic Monte Carlo (KMC) method is presented to simulate the electrodeposition of a metal on a single crystal surface of the same metal under galvanostatic conditions. This method utilizes the multi-body embedded-atom method (EAM) potential to characterize the interactions of metal atoms and adatoms. The KMC method accounts for deposition and surface diffusion processes including hopping, atom exchange and step-edge atom exchange. Steady-state deposition configurations obtained using the KMC method are validated by comparison with the structures obtained through the use of molecular dynamics (MD) simulations to relax KMC constraints. The results of this work support the use of the proposed KMC method to simulate electrodeposition processes at length (microns) and time (seconds) scales that are not feasible using other methods.

physics.chem-ph