Effect of Unsteadiness and Scalar Dissipation Models on Flamelet Modeling of Differential Molecular Diffusion in Turbulent Non-Premixed DNS Flames

Author(s):  
Chao Han ◽  
Haifeng Wang
2008 ◽  
Vol 606 ◽  
pp. 325-337 ◽  
Author(s):  
VICTOR YAKHOT

A small separation between reactants, not exceeding 10−8 − 10−7 cm, is the necessary condition for various chemical reactions. It is shown that random advection and stretching by turbulence leads to the formation of scalar-enriched sheets of strongly fluctuating thickness ηc. The molecular-level mixing is achieved by diffusion across these sheets (interfaces) separating the reactigants. Since the diffusion time scale is $\tau_{d}\,{\propto}\,\eta_{c}^{2}$, knowledge of the probability density Q(ηc, Re) is crucial for evaluation of mixing times and chemical reaction rates. According to Kolmogorov–Batchelor phenomenology, the stretching time τeddy ≈ L/urms = O(1) is independent of large-scale Reynolds number Re = urmsL/ν and the diffusion time $\tau_{d}\,{\approx}\,\tau_{\it eddy}/\sqrt{{\it Re}}\,{\ll}\, \tau_{\it eddy}$ is very small. Therefore, in previous studies, molecular diffusion was frequently neglected as being too fast to contribute substantially to the reaction rates. In this paper, taking into account strong intermittent fluctuations of the scalar dissipation scales, this conclusion is re-examined. We derive the probability density Q(ηc, Re, Sc), calculate the mean scalar dissipation scale and predict transition in the reaction rate behaviour from ${\cal R}\,{\propto}\,\sqrt{Re}$ ($Re\,{\leq}\, 10^{3}-10^{4})$ to the high-Re asymptotics ${\cal R}\,{\propto}\, {\it Re}^{0}$. These conclusions are compared with known experimental and numerical data.


2011 ◽  
Vol 688 ◽  
pp. 443-460 ◽  
Author(s):  
A. Alexakis ◽  
A. Tzella

AbstractWe investigate the mixing properties of scalars stirred by spatially smooth, divergence-free flows and maintained by a steady source–sink distribution. We focus on the spatial variation of the scalar field, described by the dissipation wavenumber, ${k}_{d} $, that we define as a function of the mean variance of the scalar and its gradient. We derive a set of upper bounds that for large Péclet number ($\mathit{Pe}\gg 1$) yield four distinct regimes for the scaling behaviour of ${k}_{d} $, one of which corresponds to the Batchelor regime. The transition between these regimes is controlled by the value of $\mathit{Pe}$ and the ratio $\rho = {\ell }_{u} / {\ell }_{s} $, where ${\ell }_{u} $ and ${\ell }_{s} $ are, respectively, the characteristic length scales of the velocity and source fields. A fifth regime is revealed by homogenization theory. These regimes reflect the balance between different processes: scalar injection, molecular diffusion, stirring and bulk transport from the sources to the sinks. We verify the relevance of these bounds by numerical simulations for a two-dimensional, chaotically mixing example flow and discuss their relation to previous bounds. Finally, we note some implications for three-dimensional turbulent flows.


1984 ◽  
Vol 16 (3-4) ◽  
pp. 623-633
Author(s):  
M Loxham ◽  
F Weststrate

It is generally agreed that both the landfill option, or the civil techniques option for the final disposal of contaminated harbour sludge involves the isolation of the sludge from the environment. For short time scales, engineered barriers such as a bentonite screen, plastic sheets, pumping strategies etc. can be used. However for long time scales the effectiveness of such measures cannot be counted upon. It is thus necessary to be able to predict the long term environmenttal spread of contaminants from a mature landfill. A model is presented that considers diffusion and adsorption in the landfill site and convection and adsorption in the underlaying aquifer. From a parameter analysis starting form practical values it is shown that the adsorption behaviour and the molecular diffusion coefficient of the sludge, are the key parameters involved in the near field. The dilution effects of the far field migration patterns are also illustrated.


2000 ◽  
Vol 42 (3-4) ◽  
pp. 417-422 ◽  
Author(s):  
T.Y. Pai ◽  
C.F. Ouyang ◽  
Y.C. Liao ◽  
H.G. Leu

Oxygen diffused to water in gravity sewer pipes was studied in a 21 m long, 0.15 m diameter model sewer. At first, the sodium sulfide was added into the clean water to deoxygenate, then the pump was started to recirculate the water and the deoxygenated water was reaerated. The dissolved oxygen microelectrode was installed to measure the dissolved oxygen concentrations varied with flow velocity, time and depth. The dissolved oxygen concentration profiles were constructed and observed. The partial differential equation diffusion model that considered Fick's law including the molecular diffusion term and eddy diffusion term were derived. The analytic solution of the partial differential equation was used to determine the diffusivities by the method of nonlinear regression. The diffusivity values for the oxygen transfer was found to be a function of molecular diffusion, eddy diffusion and flow velocity.


2021 ◽  
Vol 318 ◽  
pp. 111024
Author(s):  
Lili Huang ◽  
Caicheng Song ◽  
Yingcen Liu ◽  
Hua Lin ◽  
Wanyue Ye ◽  
...  
Keyword(s):  

Computation ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 43
Author(s):  
Shokri Amzin ◽  
Mohd Fairus Mohd Yasin

As emission legislation becomes more stringent, the modelling of turbulent lean premixed combustion is becoming an essential tool for designing efficient and environmentally friendly combustion systems. However, to predict emissions, reliable predictive models are required. Among the promising methods capable of predicting pollutant emissions with a long chemical time scale, such as nitrogen oxides (NOx), is conditional moment closure (CMC). However, the practical application of this method to turbulent premixed flames depends on the precision of the conditional scalar dissipation rate,. In this study, an alternative closure for this term is implemented in the RANS-CMC method. The method is validated against the velocity, temperature, and gas composition measurements of lean premixed flames close to blow-off, within the limit of computational fluid dynamic (CFD) capability. Acceptable agreement is achieved between the predicted and measured values near the burner, with an average error of 15%. The model reproduces the flame characteristics; some discrepancies are found within the recirculation region due to significant turbulence intensity.


Coatings ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 286
Author(s):  
Jin Zhang ◽  
Lv Yang ◽  
Yue Wang ◽  
Huaichao Wu ◽  
Jiabin Cai ◽  
...  

Molecular dynamics (MD) simulations were conducted to investigate the interactions between a palygorskite coating and linear chain alkanes (dodecane C12, tetradecane C14, hexadecane C16, and octadecane C18), representing base oils in this study. The simulation models were built by placing the alkane molecules on the surface of the palygorskite coating. These systems were annealed and geometrically optimized to obtain the corresponding stable configurations, followed by the analysis of the structural changes occurring during the MD process. The interfacial interaction energies, mean square displacements, and self-diffusion coefficients of the systems were evaluated to characterize the interactions between base lubricant molecules and palygorskite coating. It was found that the alkanes exhibited self-arrangement ability after equilibrium. The interfacial interaction was attractive, and the electrostatic energy was the main component of the binding energy. The chain length of the linear alkanes had a significant impact on the intensity of the interfacial interactions and the molecular diffusion behavior. Moreover, the C12 molecule exhibited higher self-diffusion coefficient values than C14, C16 and C18. Therefore, it could be the best candidate to form an orderliness and stable lubricant film on the surface of the palygorskite coating. The present work provides new insight into the optimization of the structure and composition of coatings and lubricants, which will guide the experimental development of these systems for practical applications.


Author(s):  
Le Xie ◽  
Guangwen He ◽  
Bin Yu ◽  
Shaowei Yan

Abstract In this study, the mixing quality of high-viscosity yield stress fluid (Carbopol aqueous solution) under laminar and turbulent flow regimes was evaluated through a numerical experimental study. A three-dimensional computational fluid dynamics large-eddy simulation (CFD-LES) model was employed to capture large-scale vortex structures. The proposed CFD model was validated by the experimental data in terms of mean velocity profiles and velocity-time history. Thereafter, the CFD model was applied to simulate the residence time distribution using the tracking technique: tracer pulse method and step method. In addition, the non-ideal flow phenomena caused by molecular diffusion and eddy diffusion were evaluated. The effects of the rheological properties on the mixing performance were also investigated. The presented results can provide useful guidance to enhance mass transfer in reactors with high-viscosity fluids.


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