Pulsed energization of electrostatic precipitator (ESP) may represent one of the most promising solutions to comply with strict environmental regulation in case of high resistivity dust. Performs a parametric cost comparison between conventional and pulsed ESP with reference to four main industrial areas: electric power generation, cement manufacturing, iron and steel production, glass industry...

The cover picture symbolically shows formation of three pnictogen bonds by the antimony triiodide molecule, which is depicted as three-headed dragon Zmey Gorynych. heads represent iodine atoms and tails – positively charged regions atom. Neighboring “bite” all to form at one antimone center. coloring Gorynych corresponds electrostatic potential (ESP) mapped on molecular surface, ranging from re...

Particulate matter emission is one of the major air pollution problems of coal fired power plants. Though fine particles constitute a smaller fraction by weight of the total suspended particle matter in typical particle emissions, they are considered potentially hazardous to health because of their high probability of deposition in deeper parts of the respiratory tract. Electrostatic precipitat...

theoretical study of the electronic structure, and nonlinear optical properties (nlo) analysis of 12-crown-4were done using density functional theory (dft) evaluations at the b3lyp/6-311g (d,p) level of theory. the optimized structure is nonlinear compound as indicated from the dihedral angles were presented. the calculated ehomo and elumo energies of 12-crown-4 (12cn4) can be used to explain t...

In this research, the effects of B, O and B&O−doped on the SO2 gas adsorption on the surface of the (4, 4) armchair AlNNTs are investigated by using DFT method. From optimized structures the geometrical and electrical properties, adsorption energy, gap energy, global hardness, electrical potential, HOMO−LUMO orbitals, density of states (DOS) plots, electrostatic potential (ESP) plots and NMR pa...

a quantum chemical investigation was carried out to study the properties of intermolecular f•••f, br•••br and br•••o interactions in crystalline 1-bromo-2,3,5,6-tetrafluoro-nitrobenzene (bfnb). this system was selected to mimic the halogen-halogen as well as halogen bonding interactions found within crystal structures as well as within biological systems. we found that fluorine atoms have weak ...

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,...

The novel electrohydrodynamically-assisted electrostatic precipitator (EHD ESP) was developed to suppress particle reentrainment for collection of low resistive diesel particulates. The collection efficiency was compared between the EHD ESP and the conventional ESP using two large diesel engines; 2.3 L and 3.2 L engines. The gas velocity was varied in the range of 1.35 to 7.3 m/s and the load w...

Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point-field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge-fitting procedures from theoretical ESP densit...

An electrostatic model based on charge density is proposed as a model for future force fields. The model is composed of a nucleus and a single Slater-type contracted Gaussian multipole charge density on each atom. The Gaussian multipoles are fit to the electrostatic potential (ESP) calculated at the B3LYP/6-31G* and HF/aug-cc-pVTZ levels of theory and tested by comparing electrostatic dimer ene...