查看更多>>摘要：In this communication, we design and optimize laser pulses to enhance the dissociation of a tri-atomic molecule using optimal control theory based adaptive simulated annealing technique. ClCN is chosen as tri-atomic molecular system as molecules containing fluorine and chlorine atoms are involved in the depletion of ozone layer and also dissociative electron attachment is possible. Fourier Grid Hamiltonian based 2D mean field methodology has been used for numerical calculations. We find an effective laser pulse by combining polychromatic Gaussian pulses and polychromatic linear pulses with different frequencies and different field intensities.
查看更多>>摘要：TDDFT method was applied to study the excited-state mechanism of a reported fluorescent probe for fluoride and sulfite. Theoretical results showed the excitation of the probe molecule involved an intramolecular charge transfer process. Based on potential energy scanning and frontier orbital analysis, the excited-state proton-transfer process of the fluoride-probe product resulted in the significant red-shifted fluorescence. In contrast, the intramolecular charge transfer process was inhibited by sulfite anions. Due to the curtailing of the conjugated system, a blue-shifted emission was observed in the fluorescence spectrum. By exploiting the difference in fluorescence wavelengths, fluoride and sulfite anions could be recognized.
查看更多>>摘要：This study focusses on two-dimensional rate type Maxwell material flow configured by a vertical moving surface. Heat source/sink and variable conductivity attributes are included in energy expression. Mass transport analysis is scrutinized through variable diffusivity and chemical reaction. Thermo-solutal buoyancy forces are introduced to capture mixed convection effects. The fundamental laws of fluid mechanics are utilized to model the problem. The implementation of order ensued in PDEs of governed physical problem. Apposite transformations are introduced to transfigure these PDEs into ordinary differential expressions. Computations of significant physical quantities are achieved through homotopy scheme. The convergence is ensured through tabular and graphical outcomes. The description of sundry variables is elucidated via pictorial forms.
Syromyatnikov, Alexey G.Kudryashov, Sergey A.Saletsky, Alexander M.Klavsyuk, Andrey L....
4页
查看更多>>摘要：A challenging aim of current research in one-dimensional physics is the search for optimal conditions for the formation of well-ordered chains. The effect of local temperature profile was investigated using large-scale kinetic Monte Carlo simulations. It was found that well-ordered long chains are formed in the presence of a temperature gradient in the sample near the critical temperature. Furthermore, it was shown how the size distribution of chains changes during annealing and cooling. The observed change mechanism of the chain length during the annealing or cooling will be useful in industry for creating atomic chains with a given length.
查看更多>>摘要：In this publish research work, the authors was reported three-dimensional radiative flow of Maxwell nanoparticles subject to microorganisms by a rotating frame. The novel impact of non-uniform heat source and sink is inspected for heat transfer enhancement. The porous impact and inertial forces are also encountered via Darcy-Forchheimer law. The convective boundary conditions are utilized for the simulated problem. The modified version of Buongiorno nano-model is followed for inspecting the thermophoretic behavior and Brownian movement of nanoparticles. The lead author regrets an error in momentum equation and some unspecified flow parameters. A modification of the momentum equation and unspecified parameters is presented in this corrigendum [1].
查看更多>>摘要：The performance of asphalt-single walled nanotube (SWNT) composites for adsorption and capture of greenhouse gases was investigated in this paper. At various temperatures, the performance of various asphalt-SWNT composites for capturing various greenhouse gases was investigated. An infrared spectrometer was used to analyze the difference in the adsorption and capture performance of the asphalt-SWNT composites for carbon dioxide gas. The findings show that asphalt-carbon nanotube composites have carbon dioxide adsorption and capture properties. And the ability of the asphalt-SWNT composite material to adsorb and capture greenhouse gases varies with temperature.
Khan, Shanza RaufJanjua, Muhammad Ramzan Saeed AshrafNaz, SamanBibi, Guria...
9页
查看更多>>摘要：Sol-gel method is used to fabricate morphologically controlled manganese-tin (Mn-Sn) bimetallic nanoparticles using manganese nitrate and tin chloride as precursors. Energy dispersive X-ray spectroscopy (EDX) is used to study the elemental composition and chemical formula of the synthesized products. Scanning transmission electron microscopy (STEM) is used to characterize the morphology of products. The catalytic property of Mn-Sn bimetallic nanoparticles is enhanced due to synergistic effect of both metals. The morphology of catalyst and the structure of organic dyes and nitro-compounds are used to compare the values of apparent rate constant, reduction time and percentage reduction.
查看更多>>摘要：In the present work, the polycarbazole (PCz)/beta-manganese dioxide (MnO2) nanocomposite (PMO) was prepared by facile in-situ polymerization approach. The thermal stability of as synthesized material was annealed and monitored upto 1200 degrees C by TGA analysis and found that the material exhibited no significant weight loss (4.1%). Thus, the annealed material exhibits excellent thermal stability which indicates its great potential for various high temperature applications such as concentrated solar power trough system, high thermal energy storage material, turbine engines, hot and high speed aircraft structures, etc.
查看更多>>摘要：Efficiency of the one-color two-photon reduction of trivalent europium mediated by an f-f transition is examined with a nanosecond laser tuned at 394 nm in methanol. The divalent-europium concentration is measured by absorbance at 350 nm. The laser-fluence dependence is obtained by varying both the pulse energy and the beam size, resulting in a fluence range of 10(2)-10(4) mJ cm(-2). An analysis is then performed considering both the two-photon reduction of trivalent europium and the one-photon backward oxidation of divalent europium. The quantum yields of the first and second processes in the reduction are (3.8 +/- 0.6) x 10(-3) and 0.7 +/- 0.2, respectively.
查看更多>>摘要：The cationic phthalocyanines (ZnPyPc and GaPyPc) photosensitized the oxidation of human serum albumin (HSA). The scavenger experiment using sodium azide suggested the contribution of O-1(2). However, the HSA photodamage was observed in the presence of sodium azide. Because the redox potential of these phthalocyanines were relatively small and the Gibbs energy of the electron transfer from tryptophan to singlet excited states of these phthalocyanines is negative, electron-transfer oxidation is possible in terms of thermodynamics. Fluorescence lifetime measurement supported the electron-transfer mechanism. This study showed that electron transfer-supported oxidation plays an important role in the protein photodamage by cationic phthalocyanines.
NSTL
Elsevier