Clarification of regimes determining sonochemical reactions in solid particle suspensions

Although there has been extensive research on the factors that influence sonochemical reactions in solid particle suspensions, the role that solid particles play in the process remains unclear. Herein, the effect of monodisperse silica particles (10–100 μm, 0.05–10 vol%) on the sonochemical activity (20 kHz) was investigated using triiodide formation monitoring and luminol tests. The results demonstrate that, in the particle size range considered, the sonochemical yields were enhanced in dilute suspensions (0.05–1 vol%), while further particle addition in semi-dilute suspensions (1–10 vol%) decreased the yields. Two regimes, namely the site-increasing regime and sound-damping regime, are identified in respect of the enhancing and inhibiting effects of the particles, respectively, and their dependence on particle characteristics is analyzed. Both regimes are confirmed based on the cavitation erosion test results or cavitation noise analysis. The clarification of the two regimes provides a better understanding of the dominant factors controlling sonochemistry in the presence of solid particles, as well as a guide for sonochemical efficiency prediction.     

Deciphering the Structure and Chemical Composition of Drug Nanocarriers: From Bulk Approaches to Individual Nanoparticle Characterization

Drug nanocarriers (NCs) with sizes usually below 200 nm are gaining increasing interest in the treatment of severe diseases such as cancer and infections. Characterization methods to investigate the morphology and physicochemical properties of multifunctional NCs are key in their optimization and in the study of their in vitro and in vivo fate. Whereas a variety of methods has been developed to characterize “bulk” NCs in suspension, the scope of this review is to describe the different approaches for the NC characterization on an individual basis, for which fewer techniques are available. The accent is put on methods devoid of labelling, which could lead to artefacts. For each characterization method, the principles and approaches to analyze the data are presented in an accessible manner. Aspects related to sample preparation to avoid artefacts are indicated, and emphasis is put on examples of applications. NC characterization on an individual basis allows gaining invaluable information in terms of quality control, on: i) NC localization and fate in biological samples; ii) NC morphology and crystallinity; iii) distribution of the NC components (drugs, shells), and iv) quantification of NCs’ chemical composition. The individual characterization approaches are expected to gain increasing interest in the near future.     

毫米波回旋速调管放大器的自洽非线性数值模拟

为了实现回旋速调管放大器的快速设计,基于经典的回旋管的稳态单模非线性理论方法,开展了回旋速调管放大器的束波作用效率的理论模拟研究。由于单模理论无法匹配回旋速调管放大器的输入腔、中间腔两端的突变边界条件,所以输入腔与中间腔都只能采用给定场法进行求解。回旋速调管的输出腔的功率输出端通常采用缓变结构,这种腔体可以采用单模自洽理论进行求解。对两腔毫米波回旋速调管放大器进行了理论模拟,并与商业粒子模拟软件的结果进行对比,验证了该数值理论模拟方法的有效性。     

Alpha particle detector with planar double Schottky contacts directly fabricated on semi-insulating GaN:Fe template

Alpha particle radiation detectors with planar double Schottky contacts (DSC) are directly fabricated on 5-μm-thick epitaxial semi-insulating (SI) GaN:Fe film with resistivity higher than 1×10⁸Ω·cm. Under 10 V bias, the detector exhibits a low dark current of less than 5.0×10^-11 A at room-temperature, which increases at higher temperatures. Linear behavior in the semi-log reverse current-voltage plot suggests that Poole-Frenkel emission is the dominant carrier leakage mechanism at high bias. Distinct double-peak characteristics are observed in the energy spectrum of alpha particles regardless of bias voltage. The energy resolution of the SI-GaN based detector is determined to be ～ 8.6% at the deposited energy of 1.209 MeV with a charge collection efficiency of ～ 81.7%. At a higher temperature of 90 ℃, the measured full width at half maximum (FWHM) rises to 235 keV with no shift of energy peak position, which proves that the GaN detector has potential to work stably in high temperature environment. This study provides a possible route to fabricate the low cost GaN-based alpha particle detector with reasonable performance.     

Small shower CORSIKA simulations

Extensive Air Showers (EAS) induced by cosmic ray particles of very low energies, owing to the significantly steep cosmic ray energy spectrum, dominate the secondary particle flux measured by single detectors and small shower arrays. Such arrays connected in extended networks can be used to determine potentially interesting spatial correlations between showers, which may shed new light on the nature of ultra high-energy cosmic rays. The quantitative interpretation of showers recorded by small local arrays requires a methodology that differs from that used by ordinary large EAS arrays operating in the "knee" region and above. We present "small EAS generator," a semi-analytical method for integrating cosmic ray spectra over energies of interest and summing over the mass spectra of primary nuclei in arbitrary detector configurations. Furthermore, we provide results on the EAS electron and muon fluxes and particle density spectra.     

Intrinsic Entropy of Squeezed Quantum Fields and Nonequilibrium Quantum Dynamics of Cosmological Perturbations

Density contrasts in the universe are governed by scalar cosmological perturbations which, when expressed in terms of gauge-invariant variables, contain a classical component from scalar metric perturbations and a quantum component from inflaton field fluctuations. It has long been known that the effect of cosmological expansion on a quantum field amounts to squeezing. Thus, the entropy of cosmological perturbations can be studied by treating them in the framework of squeezed quantum systems. Entropy of a free quantum field is a seemingly simple yet subtle issue. In this paper, different from previous treatments, we tackle this issue with a fully developed nonequilibrium quantum field theory formalism for such systems. We compute the covariance matrix elements of the parametric quantum field and solve for the evolution of the density matrix elements and the Wigner functions, and, from them, derive the von Neumann entropy. We then show explicitly why the entropy for the squeezed yet closed system is zero, but is proportional to the particle number produced upon coarse-graining out the correlation between the particle pairs. We also construct the bridge between our quantum field-theoretic results and those using the probability distribution of classical stochastic fields by earlier authors, preserving some important quantum properties, such as entanglement and coherence, of the quantum field.     

Dependence of thermodynamic properties of model systems on some dissipative particle dynamics parameters

The influence of systematic perturbation of input interaction parameters on thermodynamic equilibrium properties is studied employing dissipative particle dynamics (DPD) simulations. The values of both the excess pressure and the surface tension are found to be very sensitive to the values of the soft repulsion parameter between unlike DPD particles for high values of the coarse-graining level (number of water molecules per DPD particle). For the case in which a molecular surfactant is present at the interface we have determined the dependence of these properties on the values of the parameters that characterize the bonding force between polymer beads. No significant differences were found between linear and branched surfactants.     

Structures,stabilities and electronic properties of boron-doped silicon clusters B3Sin (n=1–17) and their anions

The structures, stabilities and electronic properties of neutral and anionic B₃Si_n (n?=?1–17) clusters have been systemically investigated on the basis of density functional theory at the B3LYP/6-311?+?G(d) level and CALYPSO structure prediction method. The structural searches show that three boron atoms tend to form B₃ triangle encapsulated into Si_n cages with the increasing number of silicon atoms. Most of the lowest energy structures can be derived by using the squashed pentagonal bipyramid structure of B₃Si₄ and B₃Si₄^? as the major building unit. The relative stabilities are studied based on the calculated binding energies, second-order difference of energies and HOMO–LUMO gaps of the lowest energy structures. In addition, Hirshfeld, natural population analysis, Bader approaches and natural electronic configuration are performed to explore the charge transfer. At last, molecular orbital, magnetic properties, IR, Raman and UV–vis spectra are also, respectively, analysed for providing strong support for essential theoretical and experimental research.     

A subgrid model for clustering of high-inertia particles in large-eddy simulations of turbulence

Clustering (or preferential concentration) of inertial particles suspended in a homogeneous, isotropic turbulent flow is strongly influenced by the smallest scales of the turbulence. In particle-laden large-eddy simulations (LES) of turbulence, these small scales are not captured by the grid and hence their effect on particle motion needs to be modelled. In this paper, we use a subgrid model based on kinematic simulations of turbulence (Kinematic Simulation based SubGrid Model or KSSGM), for the first time in the context of predicting the clustering and the relative velocity statistics of inertial particles. This initial study focuses on the special case of inertial particles in the absence of gravitational settling. We show that the KSSGM gives excellent predictions for clustering in a priori tests for inertial particles with St ≥ 2.0, where St is the Stokes number, defined as the ratio of the particle response time to the Kolmogorov time-scale. To the best of our knowledge, the KSSGM represents the first model that has been shown to capture the effect of the subgrid scales on inertial particle clustering for St ≥ 2.0. We also show that the mean inward radial relative velocity between inertial particles (?w_r?^(?), which enters into the formula for the collision kernel) is accurately predicted by the KSSGM for all St. We explain why the model captures clustering at higher St?but not for lower St?, and provide new insights into the key statistical parameters of turbulence that a subgrid model would have to describe, in order to accurately predict clustering of low-St?particles in an LES.     

Use of Crustacean Shells for Uptake and Removal of Metal Ions in Solution

Abstract

The use of crustacean shells, in particular crab shells, for the removal of metal ions in solution is described. Research studies found in the literature on the ability of the shells, effect of particle size, pH, competitive studies in mixtures of metals, application to real samples such as acid mine drainage, and use of the shells in a column are presented. The major component of the shells that allows uptake to occur is chitin. Several mechanisms are proposed for uptake. There are conflicting accounts in the literature on such areas as the effect of pH, flow rate, and particle size.