Aseyev, Sergei A.Ryabov, Evgeny A.Mironov, Boris N.Kochikov, Igor, V...
7页
查看更多>>摘要：Using a compact diffractometer that was equipped with a pulsed electron source synchronized with a femto-second laser, a series of investigations of laser-stimulated processes in thin-film samples has been performed. It has been revealed that graphene on a copper grid exposed to the action of powerful laser radiation experiences an irreversible structural modification, which is accompanied by the breaking of carbon bonds and formation of new products. Reversible processes of the optical excitation of the crystal lattice in antimony and bismuth thin films have been investigated by ultrafast electron diffraction and the spectrum of coherent optical phonons has been observed.
查看更多>>摘要：Electronically excited atomic oxygen O(2p(3)3p P-3(J)) was prepared by ultraviolet (225.6 nm) two-photon excitation from the ground state 2p(4) (3)P2. The 2p(3)3p(3)P(J) state transfers to the 2p(3)3s(3)S state via the infrared transition at 845 nm and/or by collisions with ambient gases. The vacuum ultraviolet (VUV) emission at 130 nm via the transition 2p(3)3s(3)S -> 2p(4) (3)P(J )was detected, and the time-resolved VUV emission at varying pressures of He and N(2 )was recorded. The kinetic analysis made by the integrated profiles method has given the rate coefficients not only for the overall quenching of the 2p(3)3p(3)P(J) state but also for the state-to-state quenching 2p(3)3p(3)P(J )-> 2p(3)3s(3)S by He and N-2.
查看更多>>摘要：Background and objective: Non-Newtonian (Reiner-Rivlin) nanofluid is novel prospective in various biology and biomedical (medicine) engineering processes and in many other biological science. In addition, various biological liquids, such as saliva, synovial liquid, blood have non-Newtonian behavior and can demonstrate important viscoelastic characteristics. This treatise elucidates broad feature of cavitation in non-Newtonian liquids and bubble dynamics and applies them to the fields of bioengineering and biomedicine. In view of such biomedical and bioengineering applications the aim of this paper is to discuss the hydromagnetic flow of Reiner-Rivlin nanomaterial subject to a rotating disk is addressed. Disk rotates with constant angular frequency about vertical axis. Reiner's equation of a general viscous fluid differs from the Navier's Stokes equation by a quadratic expression describing cross-viscosity coefficient. Energy equation is obtained using thermal radiation and heat generation. Thermodynamics second law investigates the entropy. Multiple slip conditions are analyzed. Thermophoresis and random diffusion behaviors are addressed. First order reaction is also taken into account. Methodology: Nonlinear systems are reduced to dimensionless system by employing similarity transformation. ND-solve procedure is implemented on Mathematics software for the computation of nonlinear differential system. Results: Graphical representation of velocity, temperature and concentration are obtained. Entropy generation has been emphasized. Velocity has decaying trends for magnetic variable. Random diffusion variable have opposite trends for concentration and temperature. An intensification in thermal slip variable reduces temperature.
查看更多>>摘要：The three-dimensional reference interaction-site model self-consistent field (3D-RISM-SCF) theory is an electronic structure theory of solvated molecules, which can handle the electronic polarization of the solute molecule induced by the interaction with the solvent, whereas the electronic polarization of solvent molecules is ignored. Here, the solvent-polarizable model is implemented to take into account the electronic polarization of solvent molecules. It is applied to the water molecule in an aqueous solution and the p-nitroaniline molecule in an aqueous solution, and the effects of the solvent polarization on the properties of these solutes are demonstrated.
Khodair, Ziad T.Ibrahim, Noor M.Kadhim, Talib J.Mohammad, Ali M....
6页
查看更多>>摘要：An environmentally friendly green approach for the synthesis of NiO nanoparticles was developed using orange leaf extract. The XRD exhibits formation of cubic crystalline structure. FTIR spectroscopy revealed the vibrational stretching mode of Ni-O bond. The FE-SEM image show some agglomerations of spherical and like oval nano-particles. The presence of Ni and O peaks in the EDX spectrum indicated the presence of NiO phase with other impurities such as C, Cl, N, and Fe. Furthermore, the NiO nanopartcles obtained demonstrated significant antibacterial activity against both positive-gram (staphylococcus aureus) and negative-gram (Escherichia coli) bacteria.
查看更多>>摘要：Dihedral fluctuations are not directly amenable due to the limitation of the experimental probe. NMR experiments probe dipolar fluctuations given in terms of cross-correlated relaxation (CCR) rates, given by the zero frequency spectral density function of the fluctuations. Here, we calculate the zero frequency spectral function from molecular dynamics trajectories for dipolar and dihedral angle fluctuations and show that they are correlated. Thus, the CCR can be a marker of dihedral fluctuations.
查看更多>>摘要：The pollution caused by sulfuric acid mist emissions has attracted attention due to demand of low emissions. In this work, molecular dynamics simulation was used to investigate effects of particle properties on nucleation process in a sulfuric acid-water vapor mixture. The effects of particle properties, including particle-vapor interaction and particle shape was analyzed in detail. The results show that with the increase of the particle vapor interaction, heterogeneous nucleation gradually occupies an advantage in the competition with homogeneous nucleation. For non-spherical particles, the vapor molecules are more prone to heterogeneous nucleation on the flat surface.
查看更多>>摘要：This study aims to propose a novel adsorbent for removal of malic acid from aqueous solutions. In this context, calcium peroxide (CaO2) nanoparticles as novel adsorbent were synthesized, characterized, and assessed the efficiency of in malic acid removal. Followed this, kinetic, thermodynamic, and equilibrium studies were con-ducted. The average particle diameter and surface area of CaO2 nanoparticles have been found to be 34.77 nm and 13.58 m(2).g(-1), respectively. The maximum adsorption capacity of CaO2 nanoparticles for malic acid has been determined as 596.86 mg.g(-1). The results showed that CaO2 nanoparticles are effective adsorbent in removing malic acid from aqueous solutions.
查看更多>>摘要：Cyclophenacene molecules are carbon nanobelts and are the smallest possible hydrogen capped armchair carbon nanotubes. In this density functional theory study Dewar benzene derivatives within cyclophenacene isomers are examined for the [n]cyclophenacenes with n = 6-14 belt sizes (for even values of n). Cyclophenacenes containing Dewar benzenoids are found to have higher energy electronic singlet-triplet state transitions compared to the purely Kekule & PRIME; benzenoid isomers of the same size. The [6]cyclophenacene isomer containing two maximally spaced Dewar benzenoids is found to have a similar energy to the exclusively Kekule & PRIME; benzenoid isomer and the addition of solvent is predicted to stabilize the Kekule & PRIME; form.
查看更多>>摘要：In this study, the helical conformers and absorption spectra of three types of 8-aminoquinoline oligoamides were studied. The stable conformers of these oligoamides connected with chiral beta-pinene at their terminals were searched, and their dominant conformers and corresponding Boltzmann statistical weights were obtained. The excitation energy and oscillator strength of the dominant conformers were calculated, and the UV and electronic circular dichroism (ECD) spectra were also simulated. beta-pinene can form delocalized pi-bonds at the C-terminal, which results in a strong R band for CQ(n). Furthermore, the degree of polymerization also affected the strength of the absorption band for all the oligoamides.
NSTL
Elsevier