Pyrolysis of 3-carene: Experiment, Theory and Modeling

Thermal decomposition studies of 3-carene, a bio-fuel, have been carried out behind the reflected shock wave in a single pulse shock tube for temperature ranging from 920 K to 1220 K. The observed products in thermal decomposition of 3-carene are acetylene, allene, butadiene, isoprene, cyclopentadiene, hexatriene, benzene, toluene and p-xylene. The overall rate constant for 3-carene decomposition was found to be k/s(-1) = 10((9.95 +/- 0.54)) exp(-40.88 +/- 2.71 kcal mol(-1) /RT). Ab-initio theoretical calculations were carried out to find the minimum energy pathway that could explain the formation of the observed products in the thermal decomposition experiments. These calculations were carried out at B3LYP/6-311 + G(d,p) and G3 level of theories. A kinetic mechanism explaining the observed products in the thermal decomposition experiments has been derived. It is concluded that the linear hydrocarbons are the primary products in the pyrolysis of 3-carene.

Inverse Polynomial Based Explicit Guidance for Lunar Soft Landing During Powered Braking

In this paper an explicit guidance law for the powered descent phase of the soft lunar landing is presented. The descent trajectory, expressed in polynomial form is fixed based on the boundary conditions imposed by the precise soft landing mission. Adapting an inverse model based approach, the guidance command is computed from the known spacecraft trajectory. The guidance formulation ensures the vertical orientation of the spacecraft during touchdown. Also a closed form relation for the final flight time is proposed. The final time is expressed as a function of initial position and velocity of the spacecraft ( at the start of descent) and also depends on the desired landing site. To ensure the fuel minimum descent the proposed explicit method is extended to optimal guidance formulation. The effectiveness of the proposed guidance laws are demonstrated with simulation results.

Microkinetic Modeling of CO Oxidation on Ionic Palladium-Substituted Ceria

This study presents a plausible dual-site mechanism and microkinetic model for CO oxidation over palladium-substituted ceria incorporating the theoretical oxygen storage capacity of different-catalysts into the kinetic model. A rate expression without prior assumption of rate-determining steps has been developed for the proposed microkinetic model using reaction route analysis. Experiments were conducted using various percentages of palladium in ceria that were synthesized by solution combustion. Obtained catalysts were characterized by X-ray diffraction, X-ray photoelectron spectra, and Brunauer-Emmett-Teller surface area measurements. A detailed mechanism was, developed, and the kinetic parameters and rate expression were validated with the conversion data obtained in the presence of the catalysts. Furthermore, a reduced rate expression based on rate-determining step and most abundant reactive intermediate approximation was obtained and tested against the original rate expression for different experimental conditions. From the results obtained it was concluded that the simulated rate predictions matched the experimental trend with reasonable accuracy, validating the kinetic parameters proposed it this study.

Numerical prediction of nozzle flow separation: Issue of turbulence modeling

Numerical simulation of separated flows in rocket nozzles is challenging because existing turbulence models are unable to predict it correctly. This paper addresses this issue with the Spalart-Allmaras and Shear Stress Transport (SST) eddy-viscosity models, which predict flow separation with moderate success. Their performances have been compared against experimental data for a conical and two contoured subscale nozzles. It is found that they fail to predict the separation location correctly, exhibiting sensitivity to the nozzle pressure ratio (NPR) and nozzle type. A careful assessment indicated how the model had to be tuned for better, consistent prediction. It is learnt that SST model's failure is caused by limiting of the shear stress inside boundary layer according to Bradshaw's assumption, and by over prediction of jet spreading rate. Accordingly, SST's coefficients were empirically modified to match the experimental wall pressure data. Results confirm that accurate RANS prediction of separation depends on the correct capture of the jet spreading rate, and that it is feasible over a wide range of NPRs by modified values of the diffusion coefficients in the turbulence model. (C) 2015 Elsevier Masson SAS. All rights reserved.

Joint modeling of lithosphere and mantle dynamics: Evaluation of constraints from global tomography models

With the advances in technology, seismological theory, and data acquisition, a number of high-resolution seismic tomography models have been published. However, discrepancies between tomography models often arise from different theoretical treatments of seismic wave propagation, different inversion strategies, and different data sets. Using a fixed velocity-to-density scaling and a fixed radial viscosity profile, we compute global mantle flow models associated with the different tomography models and test the impact of these for explaining surface geophysical observations (geoid, dynamic topography, stress, and strain rates). We use the joint modeling of lithosphere and mantle dynamics approach of Ghosh and Holt (2012) to compute the full lithosphere stresses, except that we use HC for the mantle circulation model, which accounts for the primary flow-coupling features associated with density-driven mantle flow. Our results show that the seismic tomography models of S40RTS and SAW642AN provide a better match with surface observables on a global scale than other models tested. Both of these tomography models have important similarities, including upwellings located in Pacific, Eastern Africa, Iceland, and mid-ocean ridges in the Atlantic and Indian Ocean and downwelling flows mainly located beneath the Andes, the Middle East, and central and Southeast Asia.

COUPLED OPTICAL-THERMAL-FLUID MODELING OF A DIRECTLY HEATED TUBULAR SOLAR RECEIVER FOR SUPERCRITICAL CO2 BRAYTON CYCLE

Recent studies have evaluated closed-loop supercritical carbon dioxide (s-CO2) Brayton cycles to be a higher energy density system in comparison to conventional superheated steam Rankine systems. At turbine inlet conditions of 923K and 25 MPa, high thermal efficiency (similar to 50%) can be achieved. Achieving these high efficiencies will make concentrating solar power (CSP) technologies a competitive alternative to current power generation methods. To incorporate a s-CO2 Brayton power cycle in a solar power tower system, the development of a solar receiver capable of providing an outlet temperature of 923 K (at 25 MPa) is necessary. The s-CO2 will need to increase in temperature by similar to 200 K as it passes through the solar receiver to satisfy the temperature requirements of a s-CO2 Brayton cycle with recuperation and recompression. In this study, an optical-thermal-fluid model was developed to design and evaluate a tubular receiver that will receive a heat input similar to 2 MWth from a heliostat field. The ray-tracing tool SolTrace was used to obtain the heat-flux distribution on the surfaces of the receiver. Computational fluid dynamics (CFD) modeling using the Discrete Ordinates (DO) radiation model was used to predict the temperature distribution and the resulting receiver efficiency. The effect of flow parameters, receiver geometry and radiation absorption by s-CO2 were studied. The receiver surface temperatures were found to be within the safe operational limit while exhibiting a receiver efficiency of similar to 85%.

Modeling and mesoscopic damage constitutive relation of brittle short-fiber-reinforced composites

Aimed at brittle composites reinforced by randomly distributed short-fibers with a relatively large aspect ratio, stiffness modulus and strength, a mesoscopic material model was proposed. Based on the statistical description, damage mechanisms, damage-induced anisotropy, damage rate effect and stress redistribution, the constitutive relation were derived. By taking glass fiber reinforced polypropylene polymers as an example, the effect of initial orientation distribution of fibers, damage-induced anisotropy, and damage-rate effect on macro-behaviors of composites were quantitatively analyzed. The theoretical predictions compared favorably with the experimental results.

Modeling Study on the Characteristics of Laminar and Turbulent Argon Plasma Jets Impinging Normally upon a Flat Plate in Ambient Air

Modeling study is performed to compare the flow and heat transfer characteristics of laminar and turbulent argon thermal-plasma jets impinging normally upon a flat plate in ambient air. The combined-diffusion-coefficient method and the turbulence-enhanced combined-diffusion-coefficient method are employed to treat the diffusion of argon in the argon-air mixture for the laminar and the turbulent cases, respectively. Modeling results presented include the flow, temperature and argon concentration fields, the air mass flow-rates entrained into the impinging plasma jets, and the distributions of the heat flux density on the plate surface. It is found that the formation of a radial wall jet on the plate surface appreciably enhances the mass flow rate of the ambient air entrained into the laminar or turbulent plasma impinging-jet. When the plate standoff distance is comparatively small, there exists a significant difference between the laminar and turbulent plasma impinging-jets in their flow fields due to the occurrence of a large closed recirculation vortex in the turbulent plasma impinging-jet, and no appreciable difference is found between the two types of jets in their maximum values and distributions of the heat flux density at the plate surface. At larger plate standoff distances, the effect of the plate on the jet flow fields only appears in the region near the plate, and the axial decaying-rates of the plasma temperature, axial velocity and argon mass fraction along the axis of the laminar plasma impinging-jet become appreciably less than their turbulent counterparts.

Effect of Rock Mass Structure and Block Size on the Slope Stability-Physical Modeling and Discrete Element Simulation

This paper studies the stability of jointed rock slopes by using our improved three-dimensional discrete element methods (DEM) and physical modeling. Results show that the DEM can simulate all failure modes of rock slopes with different joint configurations. The stress in each rock block is not homogeneous and blocks rotate in failure development. Failure modes depend on the configuration of joints. Toppling failure is observed for the slope with straight joints and sliding failure is observed for the slope with staged joints. The DEM results are also compared with those of limit equilibrium method (LEM). Without considering the joints in rock masses, the LEM predicts much higher factor of safety than physical modeling and DEM. The failure mode and factor of safety predicted by the DEM are in good agreement with laboratory tests for any jointed rock slope.

Optical Diagnostic and Modeling Solution Growth Process of Sodium Chlorate Crystals

Both a real time optical interferometric experiment and a numerical simulation of two-dimension non-steady state model were employed to study the growth process of aqueous sodium chlorate crystals. The parameters such as solution concentration distribution, crystal dimensions, growth rate and velocity field were obtained by both experiment and numerical simulation. The influence of earth gravity during crystal growth process was analyzed. A reasonable theory model corresponding to the present experiment is advanced. The thickness of concentration boundary layer was investigated especially. The results from the experiment and numerical simulation match well.

A Dynamic Loading Device for Suction Foundations in Centrifuge Modeling

Suction bucket foundations are widely used in the offshore platform for the exploitation of the offshore petroleum and natural gas resources. During winter seasons, ice sheets formed in Bohai Bay will impose strong impact and result in strong vibration on the platform. This paper describes a dynamic loading device developed on the geotechnical centrifuge and its application in modeling suction bucket foundation under the equivalent ice-induced vibration loadings. Some experimental results are presented. It is shown that when the loading amplitude is over a critical value, the sand at the upper part around the bucket softens or even liquefies. The excess pore pressure decreases from the upper part to the lower part of the sand foundation in vertical direction while decreases from near to far away from the bucket's side wall in the horizontal direction. Large settlements of the bucket and the sand around the bucket occur under the horizontal dynamic loading. The dynamic responses of the bucket with smaller size are heavier.

Growth of Silicon Carbide Bulk Crystals by Physical Vapor Transport Method and Modeling Efforts in the Process Optimization

Silicon carbide bulk crystals were grown in an induction-heating furnace using the physical vapor transport method. Crystal growth modeling was performed to obtain the required inert gas pressure and temperatures for sufficiently large growth rates. The SiC crystals were expanded by designing a growth chamber having a positive temperature gradient along the growth interface. The obtained 6H-SiC crystals were cut into wafers and characterized by Raman scattering spectroscopy and X-ray diffraction, and the results showed that most parts of the crystals had good crystallographic structures.

A Discussion on Modeling Shape Memory Alloy Embedded in A Composite Laminate as Axial Force and Elastic Foundation

In this paper, the possible error sources of the composite natural frequencies due to modeling the shape memory alloy (SMA) wire as an axial force or an elastic foundation and anisotropy are discussed. The great benefit of modeling the SMA wire as an axial force and an elastic foundation is that the complex constitutive relation of SMA can be avoided. But as the SMA wire and graphite-epoxy are rigidly bonded together, such constraint causes the re-distribution of the stress in the composite. This, together with anisotropy, which also reduces the structural stiffness can cause the relatively large error between the experimental data and theoretical results.