Alkanolamine solutions such as 2-amino-2-methyl-1-propanol (AMP) are widely used in chemical industries for the removal of acid gases such as CO2 and H2S. In this work, the density of CO2, AMP, water, and AMP solutions ...

First principles calculations were carried out for investigation the novel 7-hydroxycoumarinyl gallates derivatives in gas and liquid phases using density functional theory (DFT) method. Computational chemistry simulations ...

ABSTRACT In this work, the dry reforming of methane was studied using a corona and glow discharge plasma microreactors. A chemical kinetic model was developed to understand the reaction better. The modelization allowed ...

In the present study, the kinetics of biodiesel production through transesterification of Brassica carinata oil with methanol in the presence of Potassium Hydroxide is investigated by kinetic Monte Carlo simulation. The ...

In this work, the effect of ligand's length on interaction energy of six oximes, A [2-(hydroxyimino)-N-((1-(2-(2-((hydroxyimino)methyl)-1H-imidazol-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide], B [2-(hydroxyimino) ...

Density, viscosity and refractive index of pure, binary and ternary mixtures of diethanolamine (DEA) and methyl diethanolamine (MDEA) with water have been measured at different temperatures from 288.15 K to 323.15 K at ...

In this work, the thermal reaction of aluminum (Al) and nickel oxide (NiO) was investigated by molecular dynamics simulations. Some effective features of reaction such as reaction temperature, the reaction mechanism, and ...

In this study the operations of melting of Au15Ag40 nanoalloy have been studied using the molecular dynamic simulations through the Gupta multiparticle potential and the nonergodicity of simulations is eliminated by the ...

Because of participation in many aspects of human life, and due to oxidation-sensitive characteristics of dopamine (DA) and arachidonoyl dopamine (AA-DA), the necessity of biocompatible carrier to keep them against oxidation ...

In this study, a novel magnetic nanocomposite (Ba-α-Bi2O3-γ-Fe2O3) was successfully synthesized through a combination of ultrasound and co-precipitation method under mild conditions. The structure of the synthesized ...

Proton transfer (PT) and methyl group transfer (MGT) occurring in small biomimetic systems, Formamide-Formamidic acid (FA-FI), and N-formyl-N-methylformamide-(E)-methyl N-formylformimidate (NMFA-NMFI) are investigated in ...