TH – Page 4 – TechConnect Briefs

Development of the LabVIEW Monitoring System for the Hybrid PV-Wind Energy System

Watjanatepin Napat, Rajamangala University of Technology Suvarnabhumi, TH

The objectives of this project are to measure and monitor the performance of the 4.8 kW grid-connected PV systems and 1 kW wind energy system. It can measure monitor and display the real time data [...]

Preparation of Silver Nanoparticles via Ionomer Clusters

Atorngitjawat P., Pipatpanyanugoon K., Faculty of science, Burapha University, TH

Silver nanoparticles can be prepared via the cluster of ionomer templates, which is a simple, fast and economical technique. The lower of acid levels of ionomers provided the smaller size of silver nanoparticles. Furthermore, using [...]

Synthesis of Magnetically Separable Photocatalyst-TiO2/SiO2 coated Mn-Zn Ferrite-and its Photocatalytic study

Laohhasurayotin K., Pookboonmee S., Viboonratanasri D., National Science and Technology Development Agency, TH

A manganese-zinc ferrite as a magnetically separable photocatalyst was synthesized by simple co-precipitation and the following silica as well as titanium dioxide coating through sol-gel techniques. The nanoparticle was found to be well induced by [...]

Electron Hopping Process in SWCNT-Mediated Redox Reaction: An Evidence Observed by DFT Theory

Nongnual T., Choomwattana S., Nokbin S., Khongpracha P., Limtrakul J., Laboratory for Computational and Applied Chemistry, Physical Chemistry Division, TH

The electron hopping in SWCNT-mediated redox reaction of anthraquinonnyl (AQH2-) and 4-arylhydroxyl amine (4AHA-) groups is systematically studied by DFT for the first time. The spin-unrestricted DFT calculations were performed with generalized gradient approximation (GGA) [...]

Structures and Mechanism of MOF-505 and Cu-ZSM-5 Promoted Mukaiyama Aldol Reaction: An ONIOM study

Yadnum S., Choomwattana S., Khongpracha P., Limtrakul J., Kasetsart University, TH

The reaction mechanism of Metal organic framework (MOF-505) and Cu-exchange ZSM-5 zeolite promoted Mukaiyama Aldol reaction is studied theoretically. Density-functional theory (B3LYP/6-31G(d,p)) and ONIOM (B3LYP/6-31G(d,p):UFF) have been employed to investigate the reaction of Mukaiyama aldol [...]

Comparing the Stabilities of Nanoclusters and Cluster-Based Materials: Alkali Halides and the First Row Element Compounds

Sangthong W., Bromley S.T., Illasc F., Limtrakul J., Kasetsart University, TH

The stability of (MX)12 cage clusters and cluster-based polymorphs of a large range of alkali halides and the first row element compounds (LiF, BeO, BN and C) were investigated using state-of-the-art plane wave density functional [...]

The Theoretical Investigation of Oxidative Dehydrogenation of Ethane to Ethene over Fe-ZSM-5: a QM/MM Study

Bobuatong K., Sirijaraensre J., Khongpracha P., Pantu P., Limtrakul J., Laboratory for Computational and Applied Chemistry, Physical Chemistry Division, TH

The complete detailed reaction mechanism for the oxidative dehydrogenation of ethane over Fe-ZSM-5 zeolite has been systematically investigated by means of the ONIOM(MP2/6-31G(d,p):UFF)//ONIOM(B3LYP/6-31G(d,p):UFF) scheme. Two types of reaction mechanisms for the oxidative dehydrogenation of ethane [...]

Dehydration of Hydrous Ethanol to Ethylene over H-MOR Investigated by the ONIOM Method

Meeprasert J., Choomwattana S., Pantu P., Limtrakul J., Laboratory for Computational and Applied Chemistry, Physical Chemistry Division, TH

The conversion of ethanol to ethylene, which is one of the most important feed stocks for the petrochemical industry, is of particular commercial interest. Two mechanisms, stepwise and concerted, of the ethanol dehydration to ethylene [...]

A Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic Beta Zeolite: An ONIOM Study with a Newly Developed Density Functional Theory

Kumsapaya C., Bobuatong K., Choomwattana S., Khongpracha P., Tantirungrotechai Y., Limtrakul J., Kasetsart University, TH

2,6-Dimethylnaphthalene (DMN) is the key intermediate in the synthesis of poly (ethylene naphthalate) (PEN), a high-performance polymeric material. The processes to produce 2,6-DMN have been the focus of numerous experimental investigations, yet there is no [...]

The Quantum Confinement Effect on the Adsorption and Reaction of Aliphatic and Aromatic Hydrocarbons on ‘Nano Reactor’ ZSM-5 Zeolite: A Newly Developed Density Functional Theory (DFT) Investigation

Boekfa B., Choomwattana S., Maitarad P., Limtrakul J., Limtrakul P., Limtrakul J., Limtrakul P., Kasetsart University, TH

The quantum confinement effect on the adsorption and reaction mechanism of aliphatic and aromatic hydrocarbons on H-ZSM-5 zeolite was studied for the first time with a newly developed functional, M06L. With this well calibrated method, [...]