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By using first-principles calculations, the electronic properties and chemical activity of phosphorene under the strain and defect engineering are studied. Furthermore, the effects of engineering on the interactions of NO gas molecule and humidity (H2O) and air (O2) molecules with the phosphorene surface are investigated. It is found that phosphorene enables to withstand a large compressive strain,...
For ultrasonic molecular imaging, evaluation for molecular expression has been discussed for decades. However, there is no method to quantify the precious expression level of molecules using ultrasonography. To solve this problem, it is important to understand the chemical kinetics between targeted microbubbles (TMBs) and target molecules as a fundamental study. Therefore, we construct the system...
Because of excellent electrical properties, epoxy resin is widely used in packaging and casting power equipment. Moisture and temperature in the environment are inclined to seriously affect the insulation tolerance of epoxy resin. This work focuses on the aging characteristics of epoxy resin in hygrothermal environment. The effect of hygrothermal aging on the properties of epoxy resin was deeply studied...
A form of electrolytic manganese dioxide obtained by us from fluorine-containing electrolytes was seen to produce the higher catalytic and electrochemical activity. The catalytic activity of the synthesized electrolytic manganese dioxide was designated as the constant of rate reaction to the decomposition of hydrogen peroxide. Quantum chemical calculations of the electronic structure of molecular...
In this study, untreated and chemical treated PET recycled fibers were tested for the retention of Pb(II) and Cu(II) from aqueous media. Batch systems were used experimental as a function of initial concentration of metal ions, to highlight the possible utilization of this low-cost material in the wastewater treatment. Two chemical treatments (with Na2S2O3 and NaOH solutions, 4N) were used for the...
The present paper was dedicated to the study of endocrine disruptors removal from ultra-pure and real water solutions by adsorption on two types of activated carbon. This category of compounds includes natural substances such as hormones (reproductive, thyroid) or corticosteroids but also numerous chemicals as polycyclic aromatic hydrocarbons, dioxins, pharmaceuticals or pesticides. Their removal...
Lignocellulosic-based bioethanol is providing one window of potential alternative energy. Pretreatment is one of the steps in the bioconversion of lignocellulosic material. The pretreatment process was conducted in a 5-liter reactor at 150 °C, 4 bars of pressure during 30 minutes. The SSF was carried out using 30 FPU cellulase enzyme and yeast Saccharomyces cerevisiae. The delignification of pretreatment...
We have developed a novel simulator for chemical mechanical planarization processes, based on the one variant of Monte-Carlo method. It implemented the several input parameters: pressure, diameters of abrasives, temperature, linear velocity of abrasives, and easiness to remove materials. This simulator reproduced the linear change in the amounts of the polished portions of materials with pressure*linear...
A taste sensor using a lipid/polymer membrane, i.e., an electronic tongue with global selectivity, has been developed for objective evaluation of the taste of foods and beverages. Moreover, the taste sensor has been also contributing to safety of foods, e.g., the sensor membrane with strong hydrophobicity was used to detect sodium dodecyl sulfate (SDS), a negatively charged surfactant, which was generally...
In the automotive industry, the control of friction and wear by the lubricant in thermal engines and gear box is one of the most important issues for fuel economy. Therefore, it is needed to better understand the nature of tribochemical reactions with specific materials and competition of additives in the formulated lubricant in order to design and develop better lubricants that also address environmental...
Bacteriophages are ideal recognition elements for bacterium because of specificity and high affinity in the field of biosensors. The effect of bimolecular immobilization directly influences the performance of biosensors, so orientation immobilization of bacteriophages is of great importance to the biosensors. This article reviews the recent progress in biosensors that used a variety of strategies...
A detailed discussion has been made for NH3 affinity towards arsenene sheet. First principle calculations suggest that NH3 get adsorbed on pristine arsenene with weak binding. Doping with Germanium and Selenium respectively decreased and increased energy bnad gap. NBO analysis suggest arsenic (As) valance-p orbital have active participations in binding with Ge and Se. Germanium and Selenium doping...
Quinoline and their derivatives extracted from biodiesel are often used for designing of many synthetic compounds with diverse pharmacological and medicinal proprieties. These kinds of compounds have a wide variety of applications in many fields. They serve as intermediates in certain enzymatic reactions and their use as environmentally safe corrosion inhibitors reveal their importance. The aim of...
The objective of this work is to study the effect of interlayer cations on the mechanism of adsorption-desorption of water in the case of a montmorillonite exchanged by alkali metals. This is done through thermodynamic measurements, i.e. isotherms of adsorption and desorption of water. The raw material is subjected to purification treatment by using the sedimentation followed by cationic exchange...
The adsorption of carbon monoxide on the surface of graphene and aluminum doped graphene is studied using density functional theory. The adsorption energies have been calculated and compared for different configurations of the molecule on the surface. For each configuration the relaxed atomic coordinates were determined by calculating the local minimal of the total energy. The results indicate that...
The grand canonical ensemble in statistical physics has enabled us to develop a theoretical model that is an interesting application for adsorption in gaseous phase. The present approach turns out that is promising to the characterization to the adsorbent material surface. Indeed, the theoretical model contains physicochemical parameters that enable us a detailed investigation of the adsorption process...
Activated carbon has been prepared from pomegranate peels using phosphoric acid and steam as activating agents. The influence of activation temperature and time on the yield, the pore structure and the adsorption capacities of the prepared activated carbon was investigated The samples were characterized using N2 adsorption at 77 K, Boehm method and adsorption of iodine, phenol and méthylène blue in...
An innovative approach of sensitive and selective detection of trace amounts of chemical threat agents is presented in this work. The technology deals with semiconductor metal oxide gas sensors as a means of express gas detection, coupled with pre-sampling system, which is to improve sensitivity and selectivity of analysis. Examples for H2S, DMMP (phosphor-organic weapons simulant) and UDMH (highly...
Chemical sensing is one of the most promising applications of graphene based nanostructures. Here, we present a study of the effects of lithium adsorption on the electronic properties of graphene derivatives and its ability to serve as a chemical linker for different organic molecules. Lithium adsorption is found to significantly decrease the bandgap of armchair graphene nanoribbons (AGNRs), turning...
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