Impact of non-ideal transport modeling on supercritical flow simulation

The simulation of a supercritical fluid flow requires sophisticated models for real gas thermodynamic and non-ideal phenomena. They both are presently addressed through the simulation of a non-reacting and reacting high pressure H₂/O₂ splitter-plate configuration. In particular, the diffusion velocity of species is evaluated through the gradient of chemical potential (${\mathbf{d}}_l^{\text{NI}}=X_l{\left(?{\mu }_l\right)}_T$) expressed with the Peng–Robinson equation of state, or with the classical low-pressure approach ${\mathbf{d}}_l^{\mathrm{I}}=?X_l,$ which only uses the gradient of the lth species molar fraction, X_l. In addition, the high pressure binary diffusion coefficients are estimated by the correction of Kurochkin et al. or with the Takahashi approach. The results for the non-reaction case are consistent with the literature for mean and rms values using ${\mathbf{d}}_l^{\mathrm{I}}$. The use of ${\mathbf{d}}_l^{\text{NI}}$ has a limited impact but the temperature profiles become steeper. In the reactive case, the two approaches lead to a difference of 50 K on the average temperature just downstream of the injector and about 100 K further downstream. A non-ideal transport is then required for the modeling of supercritical flow simulation.     

Dynamics of FREI with/without cool flame interaction

The interactions between cool flames and flames with repetitive extinction and ignition (FREI) of stoichiometric n-heptane/air mixture were studied using a micro flow reactor with a controlled temperature profile from 373 to 1300 K. Two different flame dynamics with and without cool flames were observed in reactors with inner diameters $d_{\text{inner}}$ of 1 and 2 mm. Cool flames and FREI are spatially separated at $d_{\text{inner}}=$ 1 mm, whereas interactions between cool flames and FREI are observed at $d_{\text{inner}}=$ 2 mm. At $d_{\text{inner}}=$ 1 mm, the brightness intensity from cool flames depends on the inlet velocity ($u_{\text{inlet}}$). Approximately above $u_{\text{inlet}}=$ 10 cm/s, the brightness intensity from cool flames decreases with increasing inlet velocity, despite a large amount of mixture input. This is because before low temperature ignition occurs under higher inlet velocity conditions, the mixture archives temperature where negative temperature coefficient is dominant. Reaction front propagation speed of FREI decreases monotonically due to heat loss because the extinction points of FREI are located in higher temperatures than the cool flame region. At $d_{\text{inner}}=$ 2 mm, the acceleration of the reaction front in the cool flame region is confirmed experimentally, as predicted in our previous two-dimensional numerical simulations. Additionally, the instantaneous reaction front speed after autoignition is analyzed at $d_{\text{inner}}=$ 1 mm. The instantaneous reaction front speed decreases as the time from extinction to ignition $t_{\text{ex}\_\text{ig}}$ becomes longer because a moderate mixing zone of reactants and products is formed.     

Electrochemical behavior of Al2O3/Al composite coated Al electrodes through surface mechanical alloying in alkaline media

The behavior of $A{l}_2{O}_3/Al$ composite coated Al electrodes fabricated by surface mechanical alloying ‘SMA’ was studied. The work was accomplished using Cyclic voltammetry and electrochemical impedance spectroscopy (EIS) techniques in alkaline media $2MKOH$ were done at room temperature. Results show hydroxyl ions accumulate on the surface due to Al deformation micro cavities filling with $A{l}_2{O}_3$ until full charge blockage reached. A barrier cover layer development causing an increase of both resistance and capacitance as it becomes more stable and thinner with exposure time increase. Migrating hydroxyl ion inside micro cavity changed its composition from Al₂O₃ to stable tetrahedral $Al{\left(OH\right)}_4^{?}$ aluminate ions. Therefore future benefits could be reached by developing such surfaces having charge accumulation that enables environmental interaction.     

On the redox reactions between allyl radicals and NOx

NO_x mitigation is a central focus of combustion technologies with increasingly stringent emission regulations. NO_x can also enhance the autoignition of hydrocarbon fuels and can promote soot oxidation. The reaction between allyl radical (C₃H₅) and NO_x plays an important role in the oxidation kinetics of propene. In this work, we measured the absolute rate coefficients for the redox reaction between C₃H₅ and NO_x over the temperature range of 1000–1252 K and pressure range of 1.5–5.0 bar using a shock tube and UV laser absorption technique. We produced C₃H₅ by shock heating of C₃H₅I behind reflected shock waves. Using a Ti:Sapphire laser system with frequency quadrupling, we monitored the kinetics of C₃H₅ at 220 nm. Unlike low-temperature chemistry, the two target reactions, C₃H₅ + NO → products (R1) and C₃H₅ + NO₂ → products (R2), exhibited a strong positive temperature dependence for this radical-radical type reaction. However, these reactions did not show any pressure dependence over the pressure range of 1.5–5.0 bar, indicating that the measured rate coefficients are close to the high-pressure limit. The measured values of the rate coefficients resulted in the following Arrhenius expressions (in unit of cm³/molecule/s):$k_1\left({\mathrm{C}}_3{\mathrm{H}}_5+\text{NO}\right)=1.49\times {10}^{?10}\exp \left(?6083.6\frac{\mathrm{K}}{T}\right)\left(1017?1252K\right)$$k_2\left({\mathrm{C}}_3{\mathrm{H}}_5+\mathrm{N}{\mathrm{O}}_2\right)=1.71\times {10}^{?10}\exp \left(?3675.7\frac{\mathrm{K}}{T}\right)\left(1062?1250K\right)$To our knowledge, these are the first high-temperature measurements of allyl + NO_x reactions. The reported data will be highly useful in understanding the interaction of NO_x with resonantly stabilized radicals as well as the mutual sensitization effect of NO_x on hydrocarbon fuels.     

Topological states in the Hofstadter model on a honeycomb lattice

We provide a detailed analysis of a topological structure of a fermion spectrum in the Hofstadter model with different hopping integrals along the $x,y,z$-links ($t_x=t,t_y=t_z=1$), defined on a honeycomb lattice. We have shown that the chiral gapless edge modes are described in the framework of the generalized Kitaev chain formalism, which makes it possible to calculate the Hall conductance of subbands for different filling and an arbitrary magnetic flux ϕ. At half-filling the gap in the center of the fermion spectrum opens for $t>t_c=2^{\varphi }$, a quantum phase transition in the 2D-topological insulator state is realized at $t_c$. The phase state is characterized by zero energy Majorana states localized at the boundaries. Taking into account the on-site Coulomb repulsion U (where $U<<1$), the criterion for the stability of a topological insulator state is calculated at $t<<1$, $t\sim U$. Thus, in the case of $U>4\mathrm{\Delta }$, the topological insulator state, which is determined by chiral gapless edge modes in the gap Δ, is destroyed.     

Electronic vacuum charge for an overcritical nucleus

A “cut-off” Coulomb potential taking into account the finite size of the nucleus is finite, and a solution of the Dirac equation can be constructed for any energy, both positive and negative. In the paper we develop an exact solution of the Dirac equation for a fixed value of the total momentum j for the whole spectrum of energies, which allows us to determine the vacuum charge and its spatial distribution. We consider nuclei with different charges Z, both $Z<Z_c$ and $Z>Z_c$, where $Z=Z_c$ is the “critical” charge, at which the energy of the lowest discrete state reaches the boundary of the lower continuum $\epsilon =?m{c}^2$. Polarization of vacuum is determined, and the vacuum charge for several values of Z is found. For an undercritical nuclear charge, $Z<Z_c$, the total vacuum charge appears to be zero, while for $Z>Z_c$, the vacuum gets rearranged, and the total vacuum charge becomes equal to $?2e$. The vacuum charge distribution for $j=1/2$ for both undercritical and overcritical nuclei is calculated.     

Study of the q-Gaussian distribution with the scale index and calculating entropy by normalized inner scalogram

In this paper, we discuss a method based on wavelet analysis for the study of the q-index of the Gaussian distribution. We derive q-index from the scale index, $i_{\mathit{scale}}$, using the expression; $q\equiv 1+2i_{\mathit{scale}}$ where $i_{\mathit{scale}}$ is a wavelet based tool for measuring the degree of aperiodicity of a dynamical system in the range of $0\le i_{\mathit{scale}}\le 1$. We show that this expression gives consistent results with the numerical approach of q-Gaussian distribution which determines the degree of non-extensivity of a dynamical system in the range of $1<q<3$. We also suggest a new entropy calculation method based on the normalized inner scalogram for studying the chaotic characteristics of nonlinear dynamical systems.     

Structure and propagation of two-dimensional,partially premixed,laminar flames in diesel engine conditions

We investigate the influence of inflow velocity (V_in) and scalar dissipation rate (χ) on the flame structure and stabilisation mechanism of steady, laminar partially premixed n-dodecane edge flames stabilised on a convective mixing layer. Numerical simulations were performed for three different χ profiles and several V_in (V_in = 0.2 to 2.5m/s). The ambient thermochemical conditions were the same as the Engine Combustion Network’s (ECN) Spray A flame, which in turn represents conditions in a typical heavy duty diesel engine. The results of a combustion mode analysis of the simulations indicate that the flame structure and stabilisation mechanism depend on V_in and χ. For low V_in the flame is attached. Increasing V_in causes the high-temperature chemistry (HTC) flame to lift-off, while the low-temperature chemistry (LTC) flame is still attached. A unique speed S_R associated with this transition is defined as the velocity at which the lifted height has the maximum sensitivity to changes in V_in. This transition velocity is negatively correlated with χ. Near $V_{in}=S_R$ a tetrabrachial flame structure is observed consisting of a triple flame, stabilised by flame propagation into the products of an upstream LTC branch. Further increasing the inlet velocity changes the flame structure to a pentabrachial one, where an additional HTC ignition branch is observed upstream of the triple flame and ignition begins to contribute to the flame stabilisation. At large V_in, the LTC is eventually lifted, and the speed at which this transition occurs is insensitive to χ. Further increasing V_in increases the contribution of ignition to flame stabilisation until the flame is completely ignition stabilised. Flow divergence caused by the LTC branch reduces the χ at the HTC branches making the HTC more resilient to χ. The results are discussed in the context of identification of possible stabilisation modes in turbulent flames.