Sharif Digital Repository

The absorber is an important component in absorption machines and its characteristics have significant effects on the overall efficiency of absorption machines. This article reports on the results of numerical studies on the characteristics of falling film LiBr-H2O solution on a completely wetted horizontal tube and the associated vapor absorption in the Reynolds number range of 5 < Re < 100. The boundary layer assumptions are used for the transport of mass, momentum and energy equations and the finite difference method is employed to solve the governing equations in the film flow. The heat and mass transfer coefficients are expressed in the forms of Reynolds number, Prandtl number and... 

We present an exact treatment of the pairwise surface interactions of biaxial ellipsoidal bodies and derive the exact explicit expressions for the attractive-repulsive Lennard-Jones(6-12) ellipsoid-substrate interactions. The applicability of the results at nanoscale as a coarse-grained description of molecule-substrate interactions has been studied through presenting parameterizations for a number of small biaxial molecules. The study concludes that the anisotropic coarse-grained potential reproduces the atomistic interactions of ellipsoid-like rigid molecules perfectly, with a negligible error of less than 3%. Copyright © EPLA, 2007  

We derive exact expressions for the forces and torques between biaxial molecules interacting via the RE-squared potential, a recent variant of the Gay-Berne potential. Moreover, efficient routines have been provided for rigid body MD simulations, resulting in 1.6 times speedup compared to the two-point finite difference approach. It has also been shown that the time cost of a MD simulation will be almost equal to a similar MC simulation, making use of the provided routines. © 2006 Elsevier Inc. All rights reserved  

We have proposed an efficient parametrization method for a recent variant of the Gay Berne potential for dissimilar and biaxial particles [Phys. Rev. E 67, 041710 (2003)] and demonstrated it for a set of small organic molecules. Compared with the previously proposed coarse-grained models, the new potential exhibits a superior performance in close contact and large distant interactions. The repercussions of thermal vibrations and elasticity have been studied through a statistical method. The study justifies that the potential of mean force is representable with the same functional form, extending the application of this coarse-grained description to a broader range of molecules. Moreover, the... 

Using multiple antenna transmitters and/or receivers is becoming a common method for improving spectral efficiency of wireless channels. The physical layer of the next generation of WLAN systems (802.11n) is based on a Multiple Input Multiple Output (MIMO) system which seems to be an efficient solution for defects which could occur in wireless channels. In this paper, we investigate an adaptive bit allocation method to feed the quantized channel state data back to the transmitting antennas, depending on the channel condition in a Multiple Input Single Output (MISO) scheme. We have proposed an adaptive bit allocation scheme with a significant performance improvement over the fixed bit... 

Here, SnO2 nanoribbons (NRs) synthetized on the catalyst-free stainless steel (SS) substrate as a possible anode for Li-ion batteries (LIBs) have been reported. SnO2 NRs were synthesized on catalyst-free SS substrate via vapor-solid (VS) growth approach. Morphological and structural characterizations of the SnO2 NRs were confirmed using scanning electron microscopy (SEM), transmission electron microscopy (TEM) microscopes and x-ray diffraction (XRD) respectively. The prepared binder-free electrode demonstrated high initial discharge/charge capacities of 1818/929 mAh g-1 at current density of 300 mA g-1. A reversible capacity of 676 mAh g-1 with a coulombic efficiency of 98.5% has been... 

Functional endoscopic sinus surgery (FESS) is performed to treat sinusitis when treatment with medication fails. In the present study, three different virtual maxillary sinus endoscopic surgeries were performed on a realistic 3-D computational model of the nasal cavity of an adult male under the supervision of a specialist. They included only uncinectomy, uncinectomy + 8mm Middle Meatal Antrostomy (MMA) and uncinectomy + 18 mm MMA. Simulations were performed for two human activity respiratory rates, including rest and moderate activities, and effects of different surgeries and respiratory rates on maxillary sinus were investigated. It was found that after endoscopic sinus surgery, the volume... 

Here, we report 3D hierarchical SnO2 nanowire (NW) core-amorphous silicon shell on free-standing carbon nanotube paper (SnO2@a-Si/CNT paper) as an effective anode for flexible lithium-ion battery (LIB) application. This binder-free electrode exhibits a high initial discharge capacity of 3020 mAh g-1 with a large reversible charge capacity of 1250 mAh g-1 at a current density of 250 mA g-1. Compared to other SnO2 NW or its core-shell nanostructured anodes, the fabricated SnO2@a-Si/CNT structure demonstrates an outstanding performance with high mass loading (∼5.9 mg cm-2), high areal capacity (∼5.2 mAh cm-2), and large volumetric capacity (∼1750 mAh cm-3) after 25 cycles. Due to the... 

The ability of Paraconiothyrium variabile, a laccase producing ascomycete recently isolated from soil, was studied to eliminate chlorophenol derivatives in submerged culture medium. Among the tested compounds, ρ-chlorophenol (ρ-CP) and pentachlorophenol (PCP) were found to have minimum and maximum toxic effects, respectively, on the growth of the microorganism and at the same time high and low bioelimination percentages. The fungal strain was able to remove 86% of ρ-CP (with initial concentration of 40mgl -1) and 56% of 2,4-dichlorophenol (2,4-DCP; with same concentration as ρ-CP) after 9 days of incubation while no elimination was observed in the presence of 2,4,6-trichlorophenol... 

In the present study, metal complexes of 1-amidino-O-alkylureas were designed, synthesized and characterized by elemental analyses, FT-IR spectra, XRD, Mass analyses and scanning electron microscopy (SEM). All synthesized complexes were screen as α-Glucosidase inhibitors. According to the in vitro results, the Cu (II) complexes showed superior potency compared to other tested metal complexes. Particularly, [Cu(L-Me)2](Cl)2 (1b) showed the strongest inhibition against α-Glucosidase with an IC50 value of 2.75 ± 0.3 µM which was comparable to that of acarbose (IC50 = 750 µM). These findings are supported by the ligands and enzyme interactions through molecular docking. © 2021 Elsevier B.V