Improvement of energy dissipative particle dynamics method to increase accuracy

In this article, dissipative particle dynamics with energy conservation eDPD is used for simulating hydrodynamic behavior and heat transfer of DPD particles in a two-dimensional channel with parallel planes. To this end, a Fortran programming code is developed and the results are presented as dimensionless velocity and temperature profiles on the cross section perpendicular to the flow direction inside the channel. For the indented geometry, thermal and dynamic boundary conditions have been considered. The dynamic boundary condition of solution domain in the flow’s direction is periodic, and for modeling the walls, freezing layers of DPD particles with Bounce-Back reflection has been used. For the thermal boundary condition, it is assumed that the wall temperature is constant and the temperature of each DPD particle in contact with the wall is the same as the wall temperature. In this article, for the first time, for modeling the walls four frozen layers with Bounce-Back reflection are used and the effect of particle exit on two and three-layers configurations is investigated. Furthermore, for the first time, modified velocity Verlet integration algorithm is improved by adding heat transfer equations. And considering λ?=?0.65 in the algorithm; the indented geometry is well simulated. In order to validate the results, first, the effect of regular and random initial distribution is compared. Furthermore, the results of wall alignment are compared with those obtained from CFD approach. In this paper, in addition to studying the effect of wall alignment and initial particle arrangement, the influence of the size of cells for averaging and the time steps in the output results are investigated.

     

Study of kinetic,thermodynamic, and isotherm of Sr adsorption from aqueous solutions on graphene oxide (GO) and (aminomethyl)phosphonic acid–graphene oxide (AMPA–GO)

Journal of Radioanalytical and Nuclear Chemistry - In this work, graphene oxide (GO) and (aminomethyl)phosphonic acid–Graphene oxide (AMPA–GO) adsorbents were prepared by the modified...     

Modeling of hazardous air pollutant removal in the pulsed corona discharge

This study investigated the effects of two parts of the performance equation of the pulsed corona reactor, which is one of the non-thermal plasma processing tools of atmospheric pressure for eliminating pollutant streams. First, the effect of axial dispersion in the diffusion term and then the effect of different orders of the reaction in the decomposition rate term were considered. The mathematical model was primarily developed to predict the effluent concentration of the pulsed corona reactor using mass balance, and considering axial dispersion, linear velocity and decomposition rate of pollutant. The steady state form of this equation was subsequently solved assuming different reaction orders. For the derivation of the performance equation of the reactor, it was assumed that the decomposition rate of the pollutant was directly proportional to discharge power and the concentration of the pollutant. The results were validated and compared with another predicted model using their experimental data. The model developed in this study was also validated with two other experimental data in the literature for N₂O.     

Experimental two-photon,three-dimensional entanglement for quantum communication

Orbital angular momentum entangled photons emitted by a down-conversion source are in higher dimensional entangled states. Here we report the experimental confirmation by demonstrating a violation of a generalized Clauser-Horne-Shimony-Holt-type Bell inequality in three dimensions by more than 18 standard deviations. Higher dimensional entangled states allow the realization of new types of quantum communication protocols. They also provide a more secure quantum cryptography scheme. Therefore our experimental results are likely to have applications in future quantum communication technology.     

Triggered qutrits for quantum communication protocols

A general protocol in quantum information and communication relies in the ability of producing, transmitting, and reconstructing, in general, qunits. In this Letter we show for the first time the experimental implementation of these three basic steps on a pure state in a three-dimensional space, by means of the orbital angular momentum of the photons. The reconstruction of the qutrit is performed with tomographic techniques and a maximum-likelihood estimation method. For the tomographic reconstruction we used more than 2400 different projections. In this way we also demonstrate that we can perform any transformation in the three-dimensional space.     

Concentration of higher dimensional entanglement: qutrits of photon orbital angular momentum

Enhancement of entanglement is necessary for most quantum communication protocols many of which are defined in Hilbert spaces larger than 2. In this work we present the experimental realization of entanglement concentration of orbital angular momentum entangled photons. We investigate the specific case of three dimensions and the possibility of generating different entangled states out of an initial state. The results presented here are of importance for pure states as well as for mixed states.     

A study of the electronic and structural properties of C28 and C16N12

Equilibrium geometry of the heterofullerene C₁₆N₁₂ is calculated at the Density Functional Theory level and further compared with that of fullerene C₂₈. Theoretical vibrational spectra as well as the infrared intensities and Raman activities are reported. In addition, the effect of N substitution on fullerene stability is investigated in comparison to exohedral complexes C₂₈Cl₄ and C₁₆N₁₂Cl₄. The results show that C₁₆N₁₂ is stabilized by strengthening the hexagon belts, while exohedral complexes stabilize the hexagon structure.     

Carrier Ampholyte Isoelectric Focusing Based Two-Dimensional Electrophoresis in Preliminary Screening of Differential Proteomics Analysis

Two-dimensional electrophoresis is a current method for separating complex protein mixtures of a given sample in different states. In this study an improved carrier ampholyte isoelectric focusing method has been evaluated for its capacity for preliminary screening of expressional proteomics subjects. In comparison with current carrier ampholyte isoelectric focusing, this method showed enough resolution power to display major expressional changes in proteomic samples and demonstrated it can be used as a substitution for the immobiline based isoelectric focusing method.