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Implementing multicomponent diffusion models in reacting-flow simulations is computationally expensive due to the challenges involved in calculating diffusion coefficients. Instead, mixture-averaged diffusion treatments are typically used to avoid these costs. However, to our knowledge, the accuracy and appropriateness of the mixture-averaged diffusion models has not been verified for three-dimensional turbulent premixed flames. In this study we propose a fast, efficient, low-memory algorithm and use that to evaluate the role of multicomponent mass diffusion in reacting-flow simulations. Direct numerical simulation of these flames is performed by implementing the Stefan-Maxwell equations in NGA. A semi-implicit algorithm decreases the computational expense of inverting the full multicomponent ordinary diffusion array while maintaining accuracy and fidelity. We demonstrate the algorithm to be stable, and its performance scales approximately with the number of species squared. We first verify the method by performing one-dimensional simulations of premixed hydrogen flames and compare with matching cases in Cantera. As an initial study of multicomponent diffusion, we simulate premixed, three-dimensional turbulent hydrogen flames, neglecting secondary Soret and Dufour effects. Simulation conditions are carefully selected to match previously published results and ensure valid comparison. Our results show that using the mixture-averaged diffusion assumption lead to a 15 % under-prediction of the normalized turbulent flame speed for premixed hydrogen air flames. This large difference in the turbulent flame speed raises questions on the appropriateness of using the mixture-averaged diffusion assumption for DNS of moderate to high Karlovitz number flames.

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This research presents results from experimental and numerical investigations of twophase flow pattern analysis in a staggered tube bundle. Shell-side boiling tube bundles are used in a variety of industries from nuclear power plants to industrial evaporators. Fluid flow patterns in tube bundles affect pressure drop, boiling characteristics, and tube vibration. R-134a was the working fluid in both the experimental and computational fluid dynamics (CFD) analysis for this research. Smooth and enhanced staggered tube bundles were studied experimentally using a 1.167 pitch to diameter ratio. The experimental tube bundles and CFD geometry consist of 20 tubes with five tubes per pass. High speed video was recorded during the experimental bundle boiling. Bundle conditions ranged in mass fluxes from 10-35 kg/m 2 • s and inlet qualities from 0-70% with a fixed heat flux. Classification of the flow patterns from these videos was performed using flow pattern definitions from literature. Examples of smooth and enhanced bundle boiling high speed videos are given through still images. The flow patterns are plotted and compared with an existing flow pattern map. Good agreement was found for the enhanced tube bundle while large discrepancies exist for the smooth tube bundle. The CFD simulations were performed without heat transfer with non-symmetrical boundary conditions at the side walls, simulating rectangular bundles used in this and other research. The two-phase volume of fluid method was used to construct vapor interfaces and measure vapor volume fraction. A probability density function technique was applied to the results to determine flow patterns from the simulations using statistical parameters. Flow patterns were plotted on an adiabatic flow pattern map from literature and excellent agreement is found between the two. The agreement between simulation results and experimental data from literature emphasizes the use of numerical techniques for tube bundle design.