Soft Repulsion and the Behavior of Equations of State at High Pressures

The so-called characteristic curves of Brown—the Amagat (Joule inversion), Boyle, and Charles (Joule–Thomson inversion) curves—of hydrogen are calculated with several equations of state. This work demonstrates that not all equations can generate physically reasonable Amagat curves. After inclusion of corrections for soft repulsion (based on the Weeks–Chandler–Andersen perturbation theory) and quantum effects into the simplified perturbed-hard-chain theory (SPHCT) equation of state, this equation is able to not only generate an Amagat curve, but also predict pVT data, residual Gibbs energies, and heat capacities of several gases at and above 100 MPa reasonably well.     

Synthesis of nano-MoS<Subscript>2</Subscript>/TiO<Subscript>2</Subscript> composite and its catalytic degradation effect on methyl orange

A nano-MoS₂/TiO₂ composite was synthesized in H₂ atmosphere by calcining a MoS₃/TiO₂ precursor, which was obtained via a quick deposition of MoS₃ on anatase nano-TiO₂ under a strong acidic condition. The obtained nano-MoS₂/TiO₂ composite was characterized by X-ray diffraction spectroscopy, Brunauer–Emmett–Teller (BET) surface area, scanning electron microscopy, high-resolution transmission electron microscopy, energy-dispersive spectrometry, ultraviolet–visible spectroscopy, and Fourier transform infrared spectroscopy. The results show that the composite had a high BET surface area because of its small size and irregularly layered structure. MoS₂ in the composite was composed of typical layered structures with thicknesses of 2–8 nm and lengths of 10–40 nm. The composite contained a wide and intensive absorption at 400–700 nm, which is in the visible light region, and presented a positive catalytic effect on removing methyl orange from the aqueous solution. The catalytic activity of the composite was influenced by the initial concentration of methyl orange, the amount of the catalyst, the pH value, and the degradation temperature. In addition, the composite catalyst could be regenerated and repeatedly used via filtration three times. The deactivating catalyst could be reactivated after catalytic reaction by heating at 450 °C for 30 min in H₂.     

Theoretical Study on the Interaction Between Constant-Pressure Specific Heat and Nonequilibrium Phase Change Process in Two-Phase Flow

In two-phase flow, the constant-pressure specific heat of a mixture correlates with the flow and the heat transfer processes. In this paper, the air-water-vapor system is taken as an example, and the behavior of the constant-pressure specific heat during a nonequilibrium phase change process in a two-phase flow system is deduced using the theory of two-phase flow and thermophysics; corresponding calculations are employed to the actual two-phase flow process. The results show that the flow and the phase change heat transfer processes determine the variation and magnitude of the specific heat. Vice versa, the specific heat affects the flow and the phase change heat transfer processes.     

Biological synthesis of calcite crystals using <Emphasis Type="Italic">Scindapsus aureum</Emphasis> petioles

We report a novel strategy for the biological synthesis of calcite crystals using the petioles of the plant Scindapsus aureum. The resultant calcite crystals were characterized by scanning electron microscopy, Fourier transform infrared (FT-IR) spectroscopy, X-ray powder diffractometry, and electron diffraction. The biomolecules of S. aureum petioles were confirmed by UV–Vis and FT-IR analysis. The results showed that the spherical or rhombohedral calcite crystals were obtained in the cells of S. aureum petioles. Biomimetic synthesis of calcium carbonate (CaCO₃) in aqueous solution containing extracts of S. aureum petioles was also performed to investigate the soluble biomolecules’ influence on crystal growth of CaCO₃. It was found that twinborn spherical calcite crystals were formed, suggesting that the soluble biomolecules of S. aureum play a crucial role in directing the formation of calcite spherical particles. The possible mechanism of formation of CaCO₃ crystals using S. aureum is also discussed; the biomolecules of S. aureum may induce and control the nucleation and growth of CaCO₃ crystals.     

Numerical simulation of dam construction using low-CO<Subscript>2</Subscript>-emission concrete

Cement production gives rise to CO₂ emissions generated by the calcination of CaCO₃ and by the combustion of fossil fuels, being responsible for about 5% of the global CO₂ emissions. These emissions can be substantially reduced if cement replacement materials are used. In this paper two residual ashes that can be used as mineral additions are considered: sugar cane bagasse ash and rice husk ash. A case study of the construction of a dam with a blended material composed by cement and these two ashes is presented, indicating the potentiality of its use for civil engineering applications. The analyses were performed using experimental and numerical tools developed on the basis of a thermo-chemo-mechanical model. This model considers the coupling, within the theory of thermodynamics, of the several phenomena that intervene in the hydration process, namely, exothermicity, thermo-activation, chemo-plasticity, evolution of thermal and mechanical properties with the hydration reaction, which includes creep and relaxation.     

Microhardness studies on calcium hydrogen phosphate (brushite) crystals

Vicker's and Knoop microhardness studies were carried out on grown calcium hydrogen phosphate dihydrate (CaHPO₄·2H₂O) crystals over a load range of 10-50 g. The Vickers (H_V) and Knoop (H_K) microhardness numbers for the above loads were found to be in the range of 94-170 kg/mm² and 28-35 kg/mm² respectively. It was also found that these numbers increased with increase in load. The Mayer's index (n) was found to be greater than 1.6 showing soft-material characteristics. The fracture toughness values (K_c), determined from measurements of crack length, were estimated to be 6 ± 0.5 × 10³ kg m^−3/2 and 4.5 ± 0.5 × 10³ kg m^−3/2 at 25 g and 50 g respectively. The brittleness indices (B_i) were found as 2.3 ± 0.1 × 10⁴ m^−1/2 for 25 g and 3.7 ± 0.1 × 10⁴ m^−1/2 for 50 g. Using Wooster's empirical relation, the elastic stiffness coefficient (c₁₁) has been calculated from Vicker's hardness values as 4.8 ± 0.5 × 10¹⁵ Pa for 10 g, 9.7 ± 0.5 × 10¹⁵ Pa for 25 g and 13.3 ± 0.5 × 10¹⁵ Pa for 50 g. The Young's modulus was calculated as 1.5 ± 0.1 × 10¹⁰ N m⁻² from Knoop microhardness values.     

Thermocapillary Convection Instability in Shallow Annular Pools by Linear Stability Analysis

The thermocapillary convection instability in shallow annular pools with Prandtl numbers (Pr) from 0.011 to 57.9, differentially heated at the outer wall and cooled at the inner wall, is investigated numerically. The critical Marangoni numbers (Ma _c ), critical azimuthal wave numbers (m _c ) and critical phase velocities (ω _c ) for the incipience of oscillatory flow are determined by linear stability analysis. The results indicate that the Ma _c increases steeply with increase of Pr number when Pr≤15.9, while it increases slightly with increase of Pr between Pr=23.9 and 57.9. The m _c and ω _c decrease with increase of Pr number.     

Dynamic energy release rate evaluation of rapid crack propagation in discrete element analysis

A non-associated/associated flow rule coupled with an anisotropic/isotropic quadratic yield function is presented to describe the mechanical responses of two distinct X65 pipeline steels. The first as a product of the cold-rolling forming (UOE) process also known as seam weld pipes and the second as a result of high temperature piercing process called seamless tube manufacturing. The experimental settings consist of a wide range of sample types, whose geometric characteristics represent different state of stresses and loading modes. For low to intermediate stress triaxiality levels, flat specimens are extracted at different material orientations along with notched round bar samples for high stress triaxialities. The results indicate that despite the existing differences in plasticity between materials due to anisotropy induced processes, material failure can be characterized by an isotropic weighting function based on the modified Mohr–Coulomb (MMC) criterion. The non-associated flow rule allows for inclusion of strain directional dependence in the definition of equivalent plastic strain by means of scalar anisotropy (Lankford) coefficients and thus keeping the original capabilities of the MMC model.