Surface reaction

In recent years, the understanding of processes on material surfaces has drawn considerable interest from scientists. The adsorption stage is important for further insights into surface interactions and photocatalytic reactions. In this study, we use density functional theory computations to investigate the adsorption of sulfamethoxazole (SMX) molecules on the rutile-TiO2 (001) surface (r-TiO2 ).

8p viyoko 01-10-2024 3 1   Download

In this study, cobalt Co(II) cations were incorporated into the interlayer spaces of the montmorillonite matrix via a cation-exchange reaction, leading to an increase in layer spacing as Na was replaced by Co, as demonstrated by x-ray diffraction analysis. It was observed that Co could be released from the MMTCo matrix into the aqueous medium, with this release being more pronounced in alkaline environments.

11p xuanphongdacy06 18-09-2024 1 1   Download

In this work, gold nanorods (AuNRs) with well-controlled aspect ratios were prepared using a modified seedgrowth method and covered by TiO2 layers through the hydrothermal reaction to improve stability. Integrating TiO2 with plasmonic rod-like gold nanoparticles could enhance their photo activity by the local surface plasmon resonance (LSPR) effect. AuNRs aspect ratios were controlled by varying the amount of seed solution, reducing agents, surfactant (CTAB), and titanium (IV) but oxide.

7p dianmotminh02 03-05-2024 9 3   Download

The article will be focused on methods of chemical modification of NR and the use of improved traditional fillers such as carbon black (CB) and silica. Modification reactions include epoxidation, hydrogenation, and grafting vinyl monomers onto NR molecules. Some methods of surface modification of NR film were also reviewed. Thanks to modification the NR degree of unsaturatiton is decrease that leads to its enhanced aging resistance.

15p dianmotminh02 03-05-2024 8 2   Download

This work introduces a simple process to synthesize directly bi-phase a-/g-Fe2O3 submicron flowers on a Fe foil in NH4OH. The flowers were assembled by using many nanoplates with an estimated thickness of 20e80 nm. The shapes and dimensions of the flowers can be controlled by the treatment time.

6p meyerowitz 25-12-2021 10 0   Download

Using ab-initio calculations at the MP2/6-311G(3df, 2pd), a very high level theory, we obtained minimum energy structures for the C2H5O radical, products and transition states of reactions on the potential energy surface.

7p tamynhan9 02-12-2020 17 1   Download

C2H5OH has been using as an alternative fuel for decades; HO2 also plays a pivotal role in the combustion. The kinetics and mechanism for the reaction between C2H5OH and HO2 radical have been investigated using the molecular parameters for the reactants, transition states and products predicted at the CCSD(T)//B3LYP/6-311++G(3df,2p) level of theory.

7p tamynhan6 14-09-2020 16 1   Download

The catalyst 7.5% NiO/TiO2 and seven samples of NiO/γ-Al2O3 with NiO content from 7.5% to 60% have been obtained and studied. Physico-chemical characteristics of the catalysts were determined by methods of Adsorption (BET), X-ray Diffraction (XRD), TemperatureProgrammed Reduction (TPR) and Hydrogen Pulse Titration. The catalytic properties of the obtained samples were investigated in the reaction of CO methanation at temperatures 180 – 220◦C and mole ratios hydrogen/carbon monoxide 25-100.

16p 12120609 01-06-2020 6 1   Download

Effect of the [U(IV)/U(III)] ratio of fuel salt on selective chromium corrosion and tellurium intergranular cracking (IGC) of Hastelloy N alloy in the LiF-BeF2-UF4 salt mixture was investigated. The chromium corrosion of Hastelloy N alloy is caused by the oxidation of chromium on the alloy surface by reaction with UF4.

12p christabelhuynh 29-05-2020 7 1   Download

Bài báo trình bày một số kết quả nghiên cứu phản ứng trên bằng phương pháp phản ứng bề mặt theo chương trình nhiệt độ (Temperature Programmed Surface Reaction-TPSR). Mời các bạn cùng tham khảo nội dung chi tiết.

8p thiendiadaodien_5 08-01-2019 40 3   Download

Study on the combustion reaction of cacbon of two kind of coals in the the conditions close to the isothermal, and on the changes of the temperature on the coal surface layer, in the gas and the oxygen concentration depending on the height of the coal layer.

6p lalala7 16-12-2015 43 0   Download

The results of the reaction of selective reduction of NOx by C3H6 on the catalyst Cu/ZSM-5 with the presence of oxygen shown that there was a monotone relation between conversion degree of NOx and the amount of chemically adsorbed NOx [1]. Besides, the existence of amount of irreversiblely adsorbed C3H6 (C3H6ir) on the surface of catalyst Cu/ZSM-5 was detected [2]. The results of the role of C3H6irr towards reduction activity NOx in the studied reaction is presented in this article.

4p uocvong04 24-09-2015 26 3   Download

The basic properties of zeolites were studied by using quantum-chemical calculations. The obtained results have demonstrated that the basicity of zeolites in the forms of alkali cations (Li, Na or K) is increased with increasing cation radius. While the Si/Al ratio in the framework increases, the basicity of zeolites decreases. The application of adsorption method using acidic gases (CO2) for determining basicity may be suitable for solid bases without exhanged ion, but not for zeolites.

6p uocvong04 24-09-2015 66 3   Download

Investigations of kinetics of p-xylene deep oxidation on CuO/ -Al2O3 and CuO/ZSM-5 have been carried out. Specific surface area and pore size of catalyst samples as well as metallic state characteristics and catalytic properties of copper have been established. Catalyst CuO/ZSM-5 has been found to be more active than the first one, but it expressed lower stability because of less stable active form of Cu2+ on zeolite surface.

6p uocvong03 24-09-2015 32 5   Download

Oxidation of benzyl alcohol plays an important role in organic synthesis for the purpose of producing benzandehyde - a valuable chemical intermediates. MCM-41 is an important member of M41S mesoporous materials family. It is proved to be very potential for being used as support materials due to its high specific surface area, thermal-hydrothermal stability, etc.

5p uocvong03 24-09-2015 95 6   Download

The photo catalytic efficiency of some TiO2 films (TiO2-ST01; TiO2-P25; TiO2 sol-gel) immobilized on glass has been investigated for the degradation of phenol in aqueous solution under UV light. It was shown that the best result obtained with TiO2-ST01 film, where the mineralization was the highest (70% TOC was removed after 3 hours of irradiations) and that related to the smaller particle size and the bigger surface areas of the TiO2-ST01 particles compared with TiO2-P25 and TiO2 sol-gel films. The effect of pH and phenol concentration were discussed.

6p uocvong02 24-09-2015 46 5   Download

This study is focused on the synthesis of a polyindole doped by indole-3 butyric acid (PI-IBA). IR analyze indicated that the linkage positions of indole involves the position 2 and 3 of the monomer and the insertion of IBA in the polymer backbone. Polyindole IBA doped was incorporated into epoxy resin for protection anticorrosion of carbon steel. The electrochemical impedance measurements show a significantly improvement of protective properties in presence of PI-IBA in comparison with pure epoxy and epoxy containing polyindole coating.

6p uocvong01 24-09-2015 49 4   Download

Nanoparticle of Perovskite La1-xSrxCoO3 (x = 0, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7) were prepared by using citric acid sol-gel method. The structure and morphology of products were investigated by X-ray difraction (XRD) and transmission electron microscopy (TEM). The specific surface area (BET) was determined by N2 adsorption/desorption at 77 K. The catalytic oxidation of propene and removal NOx were studied by Temperature Program Surface Reaction (TPSR) over every compositions. The results show that the contened of substituted ion Sr2+ influenced on the oxidation temperature of propene.

6p uocvong01 24-09-2015 61 2   Download

Introducing site-directed mutations in surface-exposed residues of subunit II of the heme aa3 cytochrome c oxidase of Paracoccus denitrificans, we analyze the kinetic parameters of electron transfer from reduced horse heart cytochrome c. Specifically we address the following issues: (a) which residues on oxidase contribute to the docking site for cytochrome c, (b) is an aromatic side chain required for electron entry from cytochrome c, and (c) what is the molecular basis for the previously observed biphasic reaction kinetics....

9p system191 01-06-2013 36 3   Download

Penaeidins are a family of antimicrobial peptides constitutively produced and stored in the haemocytes of penaeid shrimp. In response to microbial stimulation, they are released into the blood circulation and they further attach to shrimp cuticle surfaces through a chitin-binding property. In the present paper, we have analysed their expression, regulation and distribution in shrimp tissues in response to experimental microbial challenge.

12p system191 01-06-2013 39 6   Download