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Author

S. Mohammadzadeh

Bio: S. Mohammadzadeh is an academic researcher from Islamic Azad University. The author has contributed to research in topics: Vertical axis wind turbine & Vertical axis. The author has an hindex of 1, co-authored 1 publications receiving 8 citations.

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TL;DR: In this paper, the adsorption of DMMP as an intoxicating chemical warfare agent onto the boron nitride nanotube has been investigated by using density functional theory calculations.

8 citations

Journal ArticleDOI
21 Mar 2023
TL;DR: In this article , a wind turbine schematics was designed in Catia software and the height of the blades was 35 and 75 centimeters, the radius of the blade was 18.5 cm and the length of the airfoil 6.4 Cm is.
Abstract: Three airfoils NACA0015, NACA0018 and NACA0021 were selected and in the Q-Blade software, the coefficients of shear, post and the maximum ratio of the exponential coefficients were determined and, finally, the Airfoil Nakata 0015 at a speed of 5 and 10 meters per second, was selected and best. Fluent software was used to solve it, based on the finite volume method. For numerical analysis, the turbulence method K-ω SST was validated with experimental results. The wind turbine schematics was designed in Catia software and the height of the blades was 35 and 75 centimeters, the radius of the blade was 18.5 cm and the length of the airfoil 6.4 Cm is. The results show that in order to operate the turbine of porous blade windings at 35 cm height at speeds of 1, 2, 3, 4, 5, 7, 7.45, 8.25, 8.5 m / s 50% 50%, 33%, 50%, 50%, 60%, 57%, 55%, 50%, and for setting up a porous blade wind turbine at a height of 75 cm at a speed of one, two, three, four, Five, seven, 7.45, 8.25, 8.5, 9, 9.5 m / s 66.6%, 75%, 80%, 71.4%, 66.6%, 76.9%, 80%, 82%, 89%, 100% of the launching force Smooth wind turbine is required at the same height.

1 citations

TL;DR: In this paper , the authors propose a method to solve the problem of homonymity of homophily in homophysphysphy.(Times)(times)
Abstract: (Times

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TL;DR: In this paper, the adsorption of tabun molecule on some important nanocages such as Al12N12, Al12P12, B12N 12, Be 12O12, C12Si12, Mg12O12 and C24 was studied theoretically in details.

51 citations

Journal ArticleDOI
Guohong Fan1, Sheng Zhu1, Xiao-kun Li1, Ke Ni1, Hong Xu1 
TL;DR: In this article, the sensor properties of single-walled boron nitride nanotubes towards acetone were investigated by investigating the intermolecular interactions of acetone with a serials of pristine and doped BNNTs.

34 citations

Journal ArticleDOI
TL;DR: The interaction mechanisms of BNNTs with some brain anticancer drugs were studied by means of density-functional theory methods and showed the adsorption energies of the drugs molecules in the inner surface are significantly larger than the outer surface, which is due to the confinement effect and the different curvature of the tube surface.
Abstract: Due to the toxicity and resistance of the anticancer drugs, various methods were employed to improve their efficacy in cancer treatment. Studies illustrated that these drugs could bind to the boron nitride nanotubes (BNNTs) surface stably with non-covalent interactions. The drugs can then be delivered directly into the cells for cancer treatment. Since the BNNTs are biocompatible and non-toxic, they can act as fine drug delivery vehicles of these anticancer drugs to deliver them directly to the target cells. In this article, the interaction mechanisms of BNNTs with some brain anticancer drugs were studied by means of density-functional theory methods. The non-covalent interactions between the BNNTs and drugs which are essential to the delivery process were analyzed in detail. With the NCI index analysis which provides a visual interpretation of the non-covalent interaction regions, the strength and type of interaction between the drug and BNNTs are characterized. Results show the adsorption energies of the drugs molecules in the inner surface are significantly larger than the outer surface, which is due to the confinement effect and the different curvature of the tube surface. The analyses of density of states, molecular orbitals show that the electronic properties of BNNTs are maintained with minor changes. It is believed that these studies can contribute to the understanding the interaction between the drug molecules and BNNTs and boost the development of the BNNT-based drug delivery devices.

29 citations

Journal ArticleDOI
TL;DR: In this article, a detailed theoretical investigation of a series of metalloporphyrin, MP (M = FeP, CoP and ZnP), molecules interacting with silicon carbide nanotube (SiCNT) by means of density functional theory (DFT) calculations is performed.

17 citations

Journal ArticleDOI
TL;DR: In this paper, the interaction of Tetrachlorodibenzo-p-dioxin (TCCD) with boron nitride nanotubes (BNNTs) and carbon nanitubes (CNTs) by using the density functional theory (DFT) calculations was investigated.
Abstract: 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCCD) is one of the most dangerous compounds that infect the environment and hence its removal is crucial for safety in human life. In this work, we have investigated the interaction of TCDD with boron nitride nanotubes (BNNTs) and carbon nanotubes (CNTs) by using the density functional theory (DFT) calculations. Our first-principles results have been validated by experiment and also other theoretical values for the similar system. The adsorption energies for TCDD molecule on the BNNTs and CNT are calculated. It was found that TCDD adsorption ability of BNNT is slightly stronger than that of CNT and TCDD molecule prefers to be adsorbed on BNNTs with molecular axis parallel to the tube axis. The results obtained indicate that TCDD is weakly bound to the outer surface of all the considered nanotubes and the obtained adsorption energy values and binding distance are typical for the physisorption. We also evaluated the influence of curvature and introduced defects on the TCDD adsorption ability of BNNTs. Furthermore, we have analyzed the electronic structure and charge population for the energetically most favorable complexes and the results indicate that no significant hybridization between the respective orbitals of the two entities was accomplished.

11 citations