相关论文: Two-section reactor model for autothermal reformin…
Different ways of dealing with one-dimensional (1D) spectra, measured e.g. in the Compton scattering or angular correlation of positron annihilation radiation (ACAR) experiments are presented. On the example of divalent hexagonal close…
The theoretical formalism of inclusive lepton-nucleus scattering in the two-nucleon emission channel is discussed in the context of a simplified approach, the modified convolution approximation. This allows one to write the 2p2h responses…
A two-component van der Waals gas model is proposed to describe the hadronic stages of the evolution of a nuclear fireball in the cooling stage. At the first stage of hadronization, when mesons dominate, a two-component meson model ($\pi^0$…
In the present study, soot formation in the turbulent lifted diffusion flame, consisting of ethylene-air is numerically investigated using three different soot modeling approaches and is comprehensively reported. For turbulence-chemistry…
Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…
The large number of possible structures of metal-organic frameworks (MOFs) and their limitless potential applications has motivated molecular modelers and researchers to develop methods and models to efficiently assess MOF performance. Some…
Estimating the heat loads on re-entry vehicles is a crucial part of preparing for atmospheric re-entry manoeuvres. Re-entry flows at high altitudes are in the rarefied regime and are governed by high enthalpies and thermodynamic…
Anderson's orthogonality catastrophe (AOC) theorem establishes that the ground state of the many-body fermion system is asymptotically orthogonal to the ground state of the same system perturbed by a scattering potential, so that the…
We propose a four-component molecular model of bitumen. The model includes realistic chemical constituents and introduces a coarse-graining level that suppresses the highest frequency modes. Molecular dynamics simulations of the model are…
We presented a general multi-physics model for shale gas flow in fractured systems, first the first time, with fully coupled thermal-hydraulic-mechanical (THM) properties. The impact of gas adsorption, real gas properties, gas flow in…
We reconsider an old idea: a three-stage compound cryopump for use in fusion reactors such as DEMO. The helium "ash" is adsorbed on a 4.5 K charcoal-coated surface, while deuterium and tritium are adsorbed at 15-22 K on a second…
A cellular automaton model is used to describe the dynamics of the catalytic oxidation of $CO$ on a $Pt(100)$ surface. The cellular automaton rules account for the structural phase transformations of the $Pt$ substrate, the reaction…
In this study, a radial analytical model for methane hydrate dissociation upon thermal stimulation in porous media considering the effect of wellbore structure has been developed. The analytical approach is based on a similarity solution…
An in-house large-eddy simulation (LES) code is applied to compute the chemically reacting flow in a turbine stage to analyze the influence of fuel injection and combustion on its aerodynamic and thermodynamic performance. Two reacting…
A screening study of the steam reforming reaction (CH_4 + H_2O -> CO + 3H_2) on early transition-metal carbides (TMC's) is performed by means of density-functional theory calculations. The set of considered surfaces includes the…
We investigate transport effects in in situ studies of defined model catalysts using a multi-scale modeling approach integrating first-principles kinetic Monte Carlo simulations into a fluid dynamical treatment. We specifically address two…
Effective water management is essential for the optimal performance of PEM fuel cells. We have developed an impedance model for liquid water transport through the membrane and coupled it with the two-phase model for cathode side impedance.…
In order to improve the understanding of the low temperature combustion of ethanol, high-level ab initio calculations were performed for elementary reactions involving hydroxyethylperoxy radicals. These radicals come from the addition of…
In clean enough samples of the high-$T_c$ oxide materials, the phase transition into the superconducting state occurs along a first order line in the $H$-$T$ plane. This means that a two-phase region occurs in the B-$T$ plane, in which the…
This work presents a fully coupled combustor turbine simulation framework applied to the MYTHOS aeroengine, developed within the Horizon Europe project MYTHOS, aimed at assessing the impact of Sustainable Aviation Fuels (SAFs) and hydrogen…