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71.
Umair Ahmed Charles Turquand d’Auzay Masaya Muto Nilanjan Chakraborty Ryoichi Kurose 《Proceedings of the Combustion Institute》2019,37(3):2821-2830
The statistical behaviour of the variances, covariance and gradients of the reaction progress variable (c), and the mixture fraction (ξ) have been analysed in a pulverised coal jet flame using a three-dimensional carrier phase direct numerical simulation (DNS) dataset. It has been observed that the Favre-probability density functions (PDFs) of c and ξ can be parametrised by the standard β function. Furthermore, the log-normal distribution has been found to accurately represent |?c| and |?ξ|. It is also found that ?c and ?ξ remain aligned throughout the flame brush. Finally the joint PDF of |?c| and |?ξ| has been compared with the product of the PDF of |?c| and PDF of |?ξ| extracted from carrier phase DNS, and it has been found that |?c| and |?ξ| are not statistically independent in the case investigated.The bivariate log-normal distributions with and without correlation have also been considered, and the former is found to be in better agreement with the carrier phase DNS data. 相似文献
72.
Transport in Porous Media - We present a reduced-order modeling technique for subsurface multi-phase flow problems building on the recently introduced deep residual recurrent neural network... 相似文献
73.
Abd-Rabbou M. Y. Khalil E. M. Ahmed M. M. A. Obada A.-S. F. 《International Journal of Theoretical Physics》2019,58(12):4012-4024
International Journal of Theoretical Physics - The interaction between a moving two-level atom and squeezed coherent states in the presence of Kerr like medium and an external classical field is... 相似文献
74.
S. Sidi Ahmed G. Dimitri Ngantso M. Boujnah A. Benyoussef A. El Kenz 《Physics letters. A》2019,383(2-3):121-126
By using the density functional theory (DFT) and Monte Carlo simulations (MCS) with the Heisenberg model, we have studied magnetic properties of the bulk perovskite YCrO3. The exchange couplings of the Heisenberg model and the magnetic anisotropy are investigated. The 110 direction in the crystalline structure of the compound has shown the minimum energy, it is the easy magnetic direction. Using Monte Carlo simulations, the magnetizations behavior, the effects of system parameters and the critical exponents of the compound YCrO3 are implemented. It is shown that the bulk perovskite YCrO3 belongs to the 3D Heisenberg universality class. 相似文献
75.
A new series of transition-metal complexes of Schiff base ligand containing the amino mercapto triazole moiety ( HL ) was prepared. The Schiff base and its metal complexes were elucidated by different spectroscopic techniques (infrared [IR], 1H nuclear magnetic resonance, UV–Visible, mass, and electron spin resonance [ESR]), and magnetic moment and thermal studies. Quantum chemical calculations have been carried out to study the structure of the ligand and some of its complexes. The IR spectra showed that the ligand is chelated with the metal ion in a neutral, tridentate, and bidentate manner using NOS and NO donors in complexes 1 – 6 , 10–12 , and 7 and 8 , respectively, whereas it behaves in a monobasic tridentate fashion using NOS donor sites in copper(II) nitrate complex ( 9 ). The magnetic moment and electronic spectra data revealed octahedral and square pyramidal geometries for complexes 2 , 11 , 12 , and 5 – 8 and 10 , respectively. However, the other complexes were found to have tetrahedral ( 4 ), trigonal bipyramidal ( 1 and 3 ), and square planar ( 9 ) structures. Thermal studies revealed that the chelates with different crystallized solvents undergo different types of interactions and the decomposition pathway ended with the formation of metal oxygen (MO) and metal sulfur (MS) as final products. The ESR spectrum of copper(II) complex 10 is axial in nature with hyperfine splitting with 2B1g as a ground state. By contrast, complexes 7 and 8 undergo distortion around the Cu(II) center, affording rhombic ESR spectra. The HL ligand and some of its complexes were screened against two bacterial species. Data showed that complex 12 demonstrated a better antibacterial activity than HL ligand and other chelates. 相似文献
76.
This paper studies an (n+4)-dimensional nonlinear virus dynamics model that characterizes the interactions of the viruses, susceptible host cells, n-stages of infected cells, B cells and cytotoxic T lymphocyte (CTL) cells. Both viral and cellular infections have been incorporated into the model. The infected-susceptible and virus-susceptible infection rates as well as the generation and removal rates of all compartments are described by general nonlinear functions. Five threshold parameters are computed, which insure the existence of the equilibria of the model under consideration. A set of conditions on the general functions has been established, which is sufficient to investigate the global dynamics of the model. The global asymptotic stability of all equilibria is proven by utilizing Lyapunov function and LaSalle's invariance principle. The theoretical results are illustrated by numerical simulations of the model with specific forms of the general functions. 相似文献
77.
Dr. Sebastian C. Cosgrove Dr. Matthew P. Thompson Dr. Syed T. Ahmed Dr. Fabio Parmeggiani Prof. Nicholas J. Turner 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(41):18313-18317
The combination of biocatalysis and chemo-catalysis increasingly offers chemists access to more diverse chemical architectures. Here, we describe the combination of a toolbox of chiral-amine-producing biocatalysts with a Buchwald–Hartwig cross-coupling reaction, affording a variety of α-chiral aniline derivatives. The use of a surfactant allowed reactions to be performed sequentially in the same flask, preventing the palladium catalyst from being inhibited by the high concentrations of ammonia, salts, or buffers present in the aqueous media in most cases. The methodology was further extended by combining with a dual-enzyme biocatalytic hydrogen-borrowing cascade in one pot to allow for the conversion of a racemic alcohol to a chiral aniline. 相似文献
78.
Zaki Nadia G. Mahmoud Walaa H. El Kerdawy Ahmed M. Abdallah Abanoub Mosaad Mohamed Gehad G. 《Research on Chemical Intermediates》2020,46(6):3193-3216
Research on Chemical Intermediates - Reaction of cocaine (Cn) with Ln(III) chloride salts [where Ln?=?La(III), Er(III), and Yb(III)] afforded complexes of the [Ln(Cn)Cl(OH2)3].2Cl type... 相似文献
79.
Excitation functions for a number of proton groups for the reactions 23Na(d, p)24Na and 27Al(d, p)28Al were measured in the energy range Ed = 1.5 to 3.0 MeV. The angular distributions for a number of proton groups were measured at a number of deuteron energies below 3.0 MeV for the three reactions 12C(d, p)13C, 23Na(d, p)24Na and 27Al(d, p)28Al. The theory of deuteron stripping reactions at incident energies below the Coulomb barrier has been considered. A closed analytical form for the differential cross-section has been obtained considering three cases according to the incident deuteron and outgoing proton energies. An attempt has been made to fit the angular distribution measurements at a number of deuterons bombarding energies accordingly. 相似文献
80.
Rongrong Zhang Ahmed Yousif Ghazal Yuzhu Liu Yan Zhang Bifeng Tang 《Optics Communications》2009,282(11):2169-6193
The photodissociation dynamics of iodocyclohexane (C6H11I) at 266 and 277 nm has been investigated by ion velocity imaging technique. The velocity distributions, angular distributions and relative quantum yields are obtained for I (2P3/2) (denoted I) and I (2P1/2) (denoted I*) fragments. The energy partitioning shows that about 70% of the available energy goes into the internal excitation of the photofragments for both dissociation channels. From the angular distributions, we found the value of the anisotropy parameter β for I* at the corresponding excitation wavelength was less than that for I. Based on the measured angular distributions and relative quantum yields, the relative fractions of each excited state to the products are determined. The curve crossing probabilities between the 3Q0 and 1Q1 states are determined 0.503 at 266 nm and 0.443 at 277 nm. 相似文献