Using empirical Eigenfunctions and Galerkin method to two‐phase transport models

In this article, we consider a nonlinear partial differential system describing two‐phase transports and try to recover the source term and the nonlinear diffusion term when the state variable is known at different profile times. To this end, we use a POD‐Galerkin procedure in which the proper orthogonal decomposition technique is applied to the ensemble of solutions to derive empirical eigenfunctions. These empirical eigenfunctions are then used as basis functions within a Galerkin method to transform the partial differential equation into a set of ordinary differential equations. Finally, the validation of the used method has been evaluated by some numerical examples. © 2006 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 23: 456–474, 2007     

Preparation of Iodide Selective Carbon Paste Electrode with Modified Carbon Nanotubes by Potentiometric Method and Effect of CuS‐NPs on Its Response

In this research, multiwalled carbon nanotubes (MWCNTs) was oxidized and chemically modified through reaction with 3‐(trimethoxysilyl)propan‐1‐amine (TMSPA) and their subsequent reaction with 2‐hydroxy‐3‐methoxy benzaldehyde. Subsequently, this material was metalized by reaction with copper acetate that lead to formation and impergeation of 2‐methoxy‐6‐((3‐(trimethoxysilyl)propylimino)methyl)phenol MMSPIMP? MWCNT‐Cu. This novel material was identified with different techniques such as SEM and FT‐IR analysis. In this work, the reported material are exhibited high accurate and repeatable monitoring of iodide due to its high surface area with various reactive centre. It exhibited selectivity for iodide over the wide linear dynamic range between 1.8×10^?6 and 1.15×10^?1 M, with a Nernstian slope of ?59.12±0.7 mV per decade of activity and detection limit of 1.8×10^?6 M. Copper sulfide nanoparticles were prepared and their effect on the electrode response was investigated. The results were improved in the presence of nanoparticles with fast and stable response, good reproducibility, long‐term stability, high selectivity over the presence of common organic and inorganic anions, high detection limit and dynamic range. The proposed sensor has been applied as potentiometric determination of some iodine species over a pH range of 2.5–10.     

Chemical shielding properties for BN,BP, AlN,and AlP nanocones: DFT studies

The properties of boron nitride (BN), boron phosphide (BP), aluminum nitride (AlN), and aluminum phosphide (AlP) nanocones were investigated by density functional theory (DFT) calculations. The investigated structures were optimized and chemical shielding (CS) properties including isotropic and anisotropic CS parameters were calculated for the atoms of the optimized structures. The magnitudes of CS parameters were observed to be mainly dependent on the bond lengths of considered atoms. The results indicated that the atoms could be divided into atomic layers due to the similarities of their CS properties for the atoms of each layer. The trend means that the atoms of each layer detect almost similar electronic environments. Moreover, the atoms at the apex and mouth of nanocones exhibit different properties with respect to the other atomic layers.     

Efficient Method for Tetrahydropyranylation of Alcohols and Phenols and Deprotection of THP Ethers using H14[NaP5W30O110] as a Green Catalyst

A simple and effective method for tetrahydropyranylation of alcohols and phenols and the regeneration of THP ethers using a catalytic amount of H₁₄[NaP₅W₃₀O₁₁₀] is reported.     

Theoretical prediction of proton and electron affinities,gas phase basicities,and ionization energies of sulfinamides

Structural Chemistry - Sulfinamides, as an asymmetric synthesizer, especially in drug synthesis, play critical roles in organic chemistry. In this study, the gas phase ion energetics data including...     

A dicationic,podand-like,ionic liquid water system accelerated copper-catalyzed azide-alkyne click reaction

In this work,an effective,task specific,dicationic,podand-like ionic liquid was synthesized and applied to improve the capability features of click reaction.Moreover,to broaden the scope and decreasing the serious limitations of preparation methods of organic azides,a simple green procedure for the preparation of alkyl azides,the fundamental starting materials in click reactions,from alcohols under solvent-free conditions and microwave irradiation has been reported,for the first time.     

A fractional order HIV/AIDS model based on the effect of screening of unaware infectives

In this paper, a fractional order model for the spread of human immunodeficiency virus (HIV) infection is proposed to study the effect of screening of unaware infected individuals on the spread of the HIV virus. For this purpose, local asymptotic stability analysis of the disease‐free equilibrium is investigated. In addition, the model is studied for different values of the fractional order to show the relation between the variations of the reproduction number and the order of the proposed model. Finally, numerical solutions are simulated by using a predictor‐corrector method to illustrate the dynamics between susceptible individuals and unaware infected individuals.