Development of a novel flamelet-based model to include preferential diffusion effects in autoignition of CH4/H2 flames

This study reports on the development of a flamelet-based reduction method for autoignition of hydrogen enriched methane-based fuels. The main focus is on the inclusion of preferential diffusion effects in the Flamelet Generated Manifolds (FGM) technique for autoigniting flames. Such a development of the FGM methodology is inevitable since investigations with detailed chemistry indicate that preferential diffusion strongly affects autoignition of these mixtures. First, a novel flamelet configuration based on Igniting Mixing Layer (IML) flamelets is proposed to accommodate preferential diffusion in a flamelet database. At the next stage, transport equations for controlling variables are derived with additional terms to account for preferential diffusion effects. The extended FGM model has been evaluated by comparing its predictions with those of detailed chemistry in both laminar and turbulent situations. In laminar situations, it is revealed that the model is able to predict accurately autoignition time scales of one-dimensional hydrogen enriched flames. The turbulent situations are studied by performing Direct Numerical Simulations (DNS) of a two-dimensional unsteady mixing layer. In this configuration, the proposed model yields a precise prediction of autoignition time scales as well. The model has also been assessed using the widely used Igniting Counter-Flow (ICF) flamelets instead of IML flamelets which leads to less accurate predictions especially at high hydrogen contents. The predictive power of the proposed model combined with simplicity of its implementation introduces an attractive reduced model for the computation of turbulent flames

Three-body recombination of ultra-cold atoms to a weakly bound ss level

We discuss three-body recombination of ultra-cold atoms to a weakly bound $s$ level. In this case, characterized by large and positive scattering length $a$ for pair interaction, we find a repulsive effective potential for three-body collisions, which strongly reduces the recombination probability and makes simple Jastrow-like approaches absolutely inadequate. In the zero temperature limit we obtain a universal relation, independent of the detailed shape of the interaction potential, for the (event) rate constant of three-body recombination: $\alpha_{\rm rec}=3.9\hbar a^4/m$, where $m$ is the atom mass.Comment: 10 pages, 3 Postscript figure

Three-body recombination in Bose gases with large scattering length

An effective field theory for the three-body system with large scattering length is applied to three-body recombination to a weakly-bound s-wave state in a Bose gas. Our model independent analysis demonstrates that the three-body recombination constant alpha is not universal, but can take any value between zero and 67.9 \hbar a^4/m, where a is the scattering length. Other low-energy three-body observables can be predicted in terms of a and alpha. Near a Feshbach resonance, alpha should oscillate between those limits as the magnetic field B approaches the point where a -> infinity. In any interval of B over which a increases by a factor of 22.7, alpha should have a zero.Comment: 8 pages, RevTex, 3 postscript figures, uses epsf.sty, rotate.sty, references added, discussion improve

LES of Delft Jet-in-Hot Coflow burner to investigate the effect of preferential diffusion on autoignition of CH4/H2 flames

This paper reports on numerical investigations of preferential diffusion effects in Large Eddy Simulation (LES) of turbulent lifted CH4/H2 flames. For this purpose, a combined LES and Flamelet Generated Manifolds (FGM) model is developed to simulate the Delft Jet-in-Hot Coflow (DJHC) burner. A novel type of flamelets, entitled “IML Flamelets”, has been used to tabulate the chemistry. IML flamelets are capable to incorporate preferential diffusion effects in autoigniting flames. The IML technique is coupled with LES to simulate the DJHC burner with CH4/H2 fuels where CH4 has been enriched with H2 ranging from 0% to 25% of the fuel volume. The significance of this study is to illustrate complex interactions of molecular diffusion, chemistry and turbulent transport. A good agreement has been found between LES and measurements for the velocity and OH fields. It turns out that preferential diffusion has a significant influence on the lift-off height and stabilization mechanism of the lifted H2-enriched turbulent flames. Predictions of the 0% H2 case indicate that inclusion of preferential diffusion in the combustion model modestly affects lift-off heights. However, for 5% H2, 10% H2 and 25% H2 cases, inclusion of preferential diffusion in the model affects strongly lift-off heights yielding much improved predictions compared to the unity Lewis number model. Predictions of lift-off heights and formation of ignition kernels agree very well with the measured instantaneous snapshots of OH chemiluminescence. It turns out that the combined FGM-IML approach can successfully capture main features of turbulent lifted flames such as formation of ignition kernels and stabilization mechanisms

Recombinant human interleukin 6 in metastatic renal cell cancer: a phase II trial.

A phase II trial investigating the anti-tumour effects of recombinant human interleukin 6 (rhIL-6) in patients with metastatic renal cell cancer was carried out. RhIL-6 (150 microgram) was administered as a daily subcutaneous injection for 42 consecutive days on an outpatient basis. Forty-nine patients were studied, 12 with and 37 without previous immunotherapy. Forty patients were evaluable for response. A partial remission was noted in two patients, stable disease in 17 and progressive disease in 21. Toxicity was moderate and reversible and consisted mainly of fever, flu-like symptoms, nausea, weight loss and hepatotoxicity. Anaemia, leucocytosis and thrombocytosis and induction of acute phase protein synthesis were noted in most patients. In 15% of the patients anti-IL-6 antibodies developed, and were neutralising in only one patient. Baseline plasma IL-6 concentrations did not correlate with tumour behaviour before or after rhIL-6 treatment. In conclusion, rhIL-6 can be safely administered on an outpatient basis for prolonged period of time and has moderate, reversible toxicity. Its administration induces IL-6-antibody production in only a minority of patients. Antitmour effects of rhIL-6 in metastatic renal cancer are limited

On the combustion of fine iron particles beyond FeO stoichiometry: Insights gained from molecular dynamics simulations

Molecular dynamics (MD) simulations are performed to investigate the thermal and mass accommodation coefficients (TAC and MAC, respectively) for the combination of iron(-oxide) and air. The obtained values of TAC and MAC are then used in a point-particle Knudsen model to investigate the effect on the combustion behavior of (fine) iron particles. The thermal accommodation for the interactions of $\mathrm{Fe}$ with $\mathrm{N_2}$ and $\mathrm{Fe_xO_y}$ with $\mathrm{O_2}$ is investigated for different surface temperature, while the mass accommodation coefficient for iron(-oxide) with oxygen is investigated for different initial oxidation stages $Z_\mathrm{O}$, which represents the molar ratio of $\mathrm{O}/\left(\mathrm{O} + \mathrm{Fe}\right)$, and different surface temperatures. The MAC decreases almost linearly as a function of $Z_\mathrm{O}$, with a steeper slope when $Z_\mathrm{O} < 0.5$ and a gentler slope when $0.5 < Z_\mathrm{O} < 0.57$. By incorporating the MD-informed accommodation coefficients into the single iron particle model, the oxidation beyond $Z_\mathrm{O} = 0.5$ (from stoichiometric $\mathrm{FeO}$ to $\mathrm{Fe_3O_4}$) is modeled. A new temperature evolution for single iron particles is observed compared to results obtained with previously developed continuum models. Specifically, results of the present simulations show that the oxidation process continues after the particle reaching the peak temperature, while previous models predicting a maximum temperature was attained when the particle is fully oxidized to $Z_\mathrm{O} = 0.5$. Since the rate of formation slows down as the MAC decreases with an increasing oxidation stage, the rate of heat loss exceeds the rate of heat release upon reaching the maximum temperature. Finally, the effect of transition-regime heat and mass transfer on the combustion behavior of fine iron particles is investigated and discussed

On the surface chemisorption of oxidizing fine iron particles: insights gained from molecular dynamics simulations

Molecular dynamics (MD) simulations are performed to investigate the thermal and mass accommodation coefficients (TAC and MAC, respectively) for the combination of iron(-oxide) and air. The obtained values of TAC and MAC are then used in a point-particle Knudsen model to investigate the effect of chemisorption and the Knudsen transition regime on the combustion behavior of (fine) iron particles. The thermal accommodation for the interactions of Fe with N2 and FexOy with O2 is investigated for different surface temperatures, while the mass accommodation coefficient for iron(-oxide) with oxygen is investigated for different initial oxidation stages ZO, which represents the molar ratio of O/(O + Fe), and different surface temperatures. The MAC decreases fast from unity to 0.03 as ZO increases from 0 to 0.5 and then diminishes as ZO further increases to 0.57. By incorporating the MD-informed accommodation coefficients into the single iron particle combustion model, the oxidation beyond ZO = 0.5 (from stoichiometric FeO to Fe3O4) is modeled. A new temperature evolution for single iron particles is observed compared to results obtained with previously developed continuum models. Specifically, results of the present simulations show that the oxidation process continues after the particle reaching the peak temperature, while previous models predicting that the maximum temperature was attained when the particle is oxidized to ZO = 0.5. Since the rate of oxidation slows down as the MAC decreases with an increasing oxidation stage, the rate of heat loss exceeds the rate of heat release upon reaching the maximum temperature, while the particle is not yet oxidized to ZO = 0.5. Finally, the effect of transition-regime heat and mass transfer on the combustion behavior of fine iron particles is investigated and discussed