Electrospray was employed upstream of an electrostatic precipitator (ESP) to enhance the collection efficiency of monodisperse nanometer-sized particles. The electrospray of deionized water produced water droplets with a size range from several tens to several hundreds μm. The visible combined effect of the ESP with the electrospray was found for the collection of particles larger than about 20...

in this paper, the stability of a functionally graded magneto-electro-elastic (fg-mee) micro-beam under actuation of electrostatic pressure is studied. for this purpose euler-bernoulli beam theory and constitutive relations for magneto-electro-elastic (mee) materials have been used. we have supposed that material properties vary exponentially along the thickness direction of the micro-beam. gov...

pyrazine derivatives are important class of compounds with diverse biological and cytotoxic activities and clinical applications. in this study, b3 p 86 / 6 – 31 + + g * was used to compute and map the molecular surface electrostatic potentials of a group of substituted amides of pyrazine-2-carboxylic acids to identify common features related to their subsequent cytotoxicities. several statisti...

fast pyrolysis is an attractive technology for biomass conversion, from which bio-oil is the preferred product with a great potential for use in industry and transport. corn wastes (cob and stover) and eucalyptus wood are widely being produced throughout the world. in this study, fast pyrolysis of these two materials were examined under the temperature of 500 °c; career gas flow rate of 660 l h...

In this paper, ab initio calculations were performed on the ternary complex formed by HB(CO)2, XCN (X = Cl, Br) and YF (Y = Li, H, Cl). In these complexes boron act as a non-classical electron donor to form a unconventional halogen bond. The cooperative effect between the B•••X halogen bond and lithium/hydrogen/halogen bond was investigated. The calculated results show that the B•••X and N•••Y ...

Influence of Aluminum, Gallium, Indium- Doping on the Boron-Nitride Nanotubes (BNNTs) investigated with density functional theory (DFT) and Hartreefock (HF) methods. For this purpose, the chemical shift of difference atomic nucleus was studied using the gauge included atomic orbital (GIAO) approch. In the following, structural parameter values, electrostatic potential, thermodynamic parameters,...

Electrostatic potentials around DNA are obtained by solving the nonlinear Poisson-Boltzmann (PB) equation. The detailed charge distribution of the DNA and the different polarizabilities of the macromolecule and solvent are included explicitly in the calculations. The PB equation is solved using extensions of a finite difference approach applied previously to proteins. Electrical potentials and ...

This paper introduces a self-consistent computational protocol for modeling protein electrostatic potentials according to static point-charge model distributions. The protocol involves a simple space-domain decomposition scheme where individual molecular domains are modeled as Quantum-Mechanical (QM) layers embedded in the otherwise classical Molecular-Mechanics (MM) protein environment. Electr...

In this paper, the stability of a functionally graded magneto-electro-elastic (FG-MEE) micro-beam under actuation of electrostatic pressure is studied. For this purpose Euler-Bernoulli beam theory and constitutive relations for magneto-electro-elastic (MEE) materials have been used. We have supposed that material properties vary exponentially along the thickness direction of the micro-beam. Gov...