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The purpose of this paper is to study numerically the steady thermal convection in a chamber filled with a nanoliquid affected by a chemical reaction using the single-phase nanofluid approximation.

Water was considered as a host fluid while nanoparticles are aluminum oxide. Homogeneous reactions are analyzed. The nonlinear partial differential equations describing the considered problem are simulated using the finite difference technique.

The results of streamlines, isotherms, isoconcentrations, nanofluid flow rate, mean Nusselt and Sherwood numbers are discussed. The data demonstrate that the mean Sherwood number increases with the homogeneous reaction rate. Further, nanofluid flow rate can be increased with nanoparticles concentration for high Rayleigh numbers owing to the homogeneous chemical reaction inside the cavity.

Searching the existent references illustrates that the homogeneous-heterogeneous reactions influence on the nanoliquid motion and energy transport within enclosures has not been investigated before. The results of this paper are completely original and the numerical results of the present paper were never published by any researcher.

This paper aims to describe the physical and numerical modeling of a new computational fluid dynamics solver for hypersonic flows in thermo-chemical non-equilibrium. The code uses a blend of numerical techniques to ensure accuracy and robustness and to provide scalability for advanced hypersonic physics and complex three-dimensional (3D) flows.

The solver is based on an edge-based stabilized finite element method (FEM). The chemical and thermal non-equilibrium systems are loosely-coupled to provide flexibility and ease of implementation. Chemical non-equilibrium is modeled using a laminar finite-rate chemical kinetics model while a two-temperature model is used to account for thermodynamic non-equilibrium. The systems are solved implicitly in time to relax numerical stiffness. Investigations are performed on various canonical hypersonic geometries in two-dimensional and 3D.

The comparisons with numerical and experimental results demonstrate the suitability of the code for hypersonic non-equilibrium flows. Although convergence is shown to suffer to some extent from the loosely-coupled implementation, trading a fully-coupled system for a number of smaller ones improves computational time. Furthermore, the specialized numerical discretization offers a great deal of flexibility in the implementation of numerical flux functions and boundary conditions.

The FEM is often disregarded in hypersonics. This paper demonstrates that this method can be used successfully for these types of flows. The present findings will be built upon in a later paper to demonstrate the powerful numerical ability of this type of solver, particularly with respect to robustness on highly stretched unstructured anisotropic grids.

The purpose of this paper is to fill a gap between experimental and abstract‐theoretic models of reaction‐diffusion computing. Chemical reaction‐diffusion computers are amongst leading experimental prototypes in the field of unconventional and nature‐inspired computing. In the reaction‐diffusion computers, the data are represented by concentration profiles of reagents, information is transferred by propagating diffusive and phase waves, computation is implemented in interaction of the traveling patterns, and results of the computation are recorded as a final concentration profile.

The paper analyzes a possibility of co‐algebraic representation of the computation in reaction‐diffusion systems using reaction‐diffusion cellular‐automata models.

Using notions of space‐time trajectories of local domains of a reaction‐diffusion medium the logic of trajectories is built, where well‐formed formulas and their truth‐values are defined by co‐induction. These formulas are non‐well‐founded set‐theoretic objects. It is demonstrated that the logic of trajectories is a co‐algebra.

The paper uses the logic defined to establish a semantical model of the computation in reaction‐diffusion media.

The work presents the first ever attempt toward mathematical formalization of reaction‐diffusion processes and is built building up semantics of reaction‐diffusion computing. It is envisaged that the formalism produced will be used in developing programming techniques of reaction‐diffusion chemical media.

The purpose of this paper is to review the applications of the chemical reactor network (CRN) approach for modeling the combustion in gas turbine combustors and classify the CRN construction methods that have been frequently used by researchers.

This paper initiates with introducing the CRN approach as a practical tool for precisely predicting the species concentrations in the combustion process with lower computational costs. The structure of the CRN and its elements as the ideal reactors are reviewed in recent studies. Flow field modeling has been identified as the most important input for constructing the CRNs; thus, the flow field modeling methods have been extensively reviewed in previous studies. Network approach, component modeling approach and computational fluid dynamics (CFD), as the main flow field modeling methods, are investigated with a focus on the CRN applications. Then, the CRN construction approaches are reviewed and categorized based on extracting the flow field required data. Finally, the most used kinetics and CRN solvers are reviewed and reported in this paper.

It is concluded that the CRN approach can be a useful tool in the entire process of combustion chamber design. One-dimensional and quasi-dimensional methods of flow field modeling are used in the construction of the simple CRNs without detailed geometry data. This approach requires fewer requirements and is used in the initial combustor designing process. In recent years, using the CFD approach in the construction of CRNs has been increased. The flow field results of the CFD codes processed to create the homogeneous regions based on construction criteria. Over the past years, several practical algorithms have been proposed to automatically extract reactor networks from CFD results. These algorithms have been developed to identify homogeneous regions with a high resolution based on the splitting criteria.

This paper reviews the various flow modeling methods used in the construction of the CRNs, along with an overview of the studies carried out in this field. Also, the usual approaches for creating a CRN and the most significant achievements in this field are addressed in detail.

The purpose of this study is to analyze an unsteady MHD Darcy flow of nonNewtonian hybrid nanoliquid past an exponentially accelerated vertical plate under the influence of velocity slip, Hall and ion slip effects in a rotating frame of reference. The fluids in the flow domain are assumed to be viscously incompressible electrically conducting. Sodium alginate (SA) has been taken as a base Casson liquid. A strong uniform magnetic field is applied under the assumption of low magnetic Reynolds number. Effect of Hall and ion-slip currents on the flow field is examined. The ramped heating and time-varying concentration at the plate are taken into consideration. First-order homogeneous chemical reaction and heat absorption are also considered. Copper and alumina nanoparticles are dispersed in base fluid sodium alginate to be formed as hybrid nanoliquid.

The model problem is first formulated in terms of partial differential equations (PDEs) with physical conditions. Laplace transform method (LTM) is used on the nondimensional governing equations for their closed-form solution. Based on these results, expressions for nondimensional shear stresses, rate of heat and mass transfer are also determined. Graphical presentations are chalked out to inspect the impacts of physical parameters on the pertinent physical flow characteristics. Numerical values of the shear stresses, rate of heat and mass transfer at the plate are tabulated for various physical parameters.

Numerical exploration reveals that a significant increase in the secondary flow (i.e. crossflow) near the plate is guaranteed with an augmenting in Hall parameter or ion slip parameter. MHD and porosity have an opposite effect on velocity component profiles for both types of nanoliquids. Result addresses that both shear stresses are strongly enhanced by the Casson effect. Also, hybrid nanosuspension in Casson fluid (sodium alginate) exhibits a lower rate of heat transfer than usual nanoliquid.

This model may be pertinent in cooling processes of metallic infinite plate in bath and hybrid magnetohydrodynamic (MHD) generators, metallurgical process, manufacturing dynamics of nanopolymers, magnetic field control of material processing, synthesis of smart polymers, making of paper and polyethylene, casting of metals, etc.

The originality of this study is to obtain an analytical solution of the modeled problem by using the Laplace transform method (LTM). Such an exact solution of nonNewtonian fluid flow, heat and mass transfer is rare in the literature. It is also worth remarking that the influence of Hall and ion slip effects on the flow of nonNewtonian hybrid nanoliquid is still an open question.

Carbonate-based heterogeneous reacting systems are investigated for the applications of thermochemical carbon dioxide capture and energy storage. This paper aims to review recent progress in numerical modeling of thermal transport phenomena in such systems.

Calcium oxide looping is selected as the model carbonate-based reacting system. Numerical models coupling heat and mass transfer to chemical kinetics are reviewed for solar-driven calcium oxide looping on the sorbent particle, particle bed, and reactor levels.

At the sorbent particle level, a transient numerical model of heat and mass transfer coupled to chemical kinetics has been developed for a single particle undergoing cyclic calcination and carbonation driven by time-periodic boundary conditions. Modeling results show cycle times impact the maximum sorbent utilization and solar-to-chemical energy efficiency. At the reactor level, a model of heat and mass transfer coupled to chemical kinetics of calcination of a packed-bed reactor concept has been developed to estimate the reactor’s performance. The model was used to finalize reactor geometry by evaluating pressure drops, temperature distributions, and heat transfer in the reactor.

Successful solar thermochemical reactor designs maximize solar-to-chemical energy conversion by matching chemical kinetics to reactor heat and mass transfer processes. Modeling furthers the understanding of thermal transport phenomena and chemical kinetics interactions and guides the design of solar chemical reactors.

The purpose of this paper is to present the temporal reflection of electromagnetic waves (EMWs) in simple polar-molecule reactions whose polarization changes with the proceeding of the reactions.

At a temporal boundary, based on the continuity of the electric displacement and magnetic induction, the reflected condition of EMWs is obtained, and the expression of the transmission and reflection coefficients in the reactions is derived. Subsequently, a one-dimensional model is used to validate the reflected condition and expression.

If the time scale of the component concentration variation is greater than the wave period, the polarization of the reactions at a temporal boundary is continuous. The reflection does not happen. On the other hand, when the time scale of the component concentration variation is smaller than the wave period, the polarization is not continuous at a temporal boundary. The impedance of the reactions at the temporal boundary changes and the reflection occurs.

The results may be helpful in disclosing the non-uniform distribution of EMWs in chemical reactions.

The present paper consists of an outline of the analysis of corrosion reactions made possible by the use of the concepts of chemical and electrochemical affinities and of the principles of equilibrium thermodynamics and of the thermodynamics of irreversible processes. For the essentials of the thermodynamic theory of affinity the reader is referred to the books of De Bonder and Van Rysselberghe and of Prigogine and Defay and, for the essentials of the thermodynamic theory of electrochemical affinity, he is referred to an article and a monograph by Van Rysselberghe We shall base our whole presentation on a typical example, that of metallic zinc undergoing corrosion in aqueous media. Generalisation to other cases can readily be worked out.

A multi-physics process model is developed to analyze reactive melt infiltration (RMI) fabrication of ceramic-matrix composite (CMC) materials and components. The paper aims to discuss this issue.

Within this model, the following key physical phenomena governing this process are accounted for: capillary and gravity-driven unsaturated flow of the molten silicon into the SiC/SiC CMC preform; chemical reactions between the silicon melt and carbon (either the one produced by the polymer-binder pyrolysis or the one residing within the dried matrix slurry); thermal-energy transfer and source/sink phenomena accompanying reactive-flow infiltration; volumetric changes accompanying chemical reactions of the molten silicon with the SiC preform and cooling of the as-fabricated CMC component to room temperature; development of residual stresses within, and thermal distortions of, the as-fabricated CMC component; and grain-microstructure development within the SiC matrix during RMI.

The model is validated, at the material level, by comparing its predictions with the experimental and modeling results available in the open literature. The model is subsequently applied to simulate RMI fabrication of a prototypical gas-turbine engine hot-section component, i.e. a shroud. The latter portion of the work revealed the utility of the present computational approach to model fabrication of complex-geometry CMC components via the RMI process.

To the authors’ knowledge, the present work constitutes the first reported attempt to apply a multi-physics RMI process model to a gas-turbine CMC component.

APPLICATION of the so‐called high energy liquid fuels and high energy liquid oxidizers to power plants based on the jet propulsion principle is receiving the increasing interest and attention of rocket propellant chemists and power plant engineers universally. The aspect of substantially increased—as much as 50 per cent— energy per pound of propellant load or per cubic foot of propellant tankage over today's propellants has whetted scientific appetites and justified probing the field of high energy chemicals to determine, as logically and as practically as we can at the present time, the gains, problems, limitations and applications of these higher energy chemicals. The object of this paper is, in a general way, to discuss the subject of chemical rocket propellants in such a way that the following five questions will be, in part at least, answered or recalled to the minds of this audience for additional deliberation.