Within this work, to promote the efficiency of organic-based solar cells, a series of novel A-π-D type small molecules were scrutinised. The acceptors which we designed had a moiety of N, N-dimethylaniline as the donor and catechol moiety as the acceptor linked through various conjugated π-linkers. We performed DFT (B3LYP) as well as TD-DFT (CAM-B3LYP) computations using 6-31G (d,p) for scrutinising the impact of various π-linkers upon optoelectronic characteristics, stability, and rate of charge transport. In comparison with the reference molecule, various π-linkers led to a smaller HOMO–LUMO energy gap. Compared to the reference molecule, there was a considerable red shift in the molecules under study (A1–A4). Therefore, based on the analysis of energy level, A4 and A3 were shown to be promising non-fullerene acceptors with the designed donors for applications in solar cells. It is hoped that the current study would provide theoretical insights into the design and amplification of optoelectronic characteristics of suggested frameworks on a grand scale in comparison with the reference molecules.
The present calculation covers the building shield during irradiation process and under water storage of three milion curries Cobalt-60 radiation source the calculation results in design requirement of 8m depth of water in the source stoeage pool
Abstract:
The great importance that distinguish these factorial experiments made them subject a desirable for use and application in many fields, particularly in the field of agriculture, which is considered the broad area for experimental designs applications.
And the second case for the factorial experiment, which faces researchers have great difficulty in dealing with the case unbalance we mean that frequencies treatments factorial are not equal meaning (that is allocated a number unequal of blocks or units experimental per tre
... Show MoreThis paper proposes a novel meta-heuristic optimization algorithm called the fine-tuning meta-heuristic algorithm (FTMA) for solving global optimization problems. In this algorithm, the solutions are fine-tuned using the fundamental steps in meta-heuristic optimization, namely, exploration, exploitation, and randomization, in such a way that if one step improves the solution, then it is unnecessary to execute the remaining steps. The performance of the proposed FTMA has been compared with that of five other optimization algorithms over ten benchmark test functions. Nine of them are well-known and already exist in the literature, while the tenth one is proposed by the authors and introduced in this article. One test trial was shown t
... Show MoreThe estimation of quantity of liquid that is collected from gas/oil separation system is a very complex task because it requires the application of the flash calculations which needs to solve the cubic equation of state and to use some numerical techniques. These difficulties can be overcome by a computer model which requires a lot of experimental data, long time, and experience.
This paper adopts a new technique to simplify this problem. It suggests new correlations for optimum separator pressure for separation station of heavy oils. The correlations have been achieved for two- and three- stage separation systems.
The co
Structural and optical properties were studied as a function of Nano membrane after prepared, for tests. Nano membrane was deposited by the spray coating method on substrates (glass) of thickness 100 mm. The X-ray diffraction spectra of (CNTs, WO3) were studied. AFM tests are good information about the roughness, It had been designed electrolysis cell and fuel cell. Studies have been performed on electrochemical parameters.
This paper studies the existence of positive solutions for the following boundary value problem :-
y(b) 0 α y(a) - β y(a) 0 bta f(y) g(t) λy    ï‚¢ï€
The solution procedure follows using the Fixed point theorem and obtains that this problem has at least one positive solution .Also,it determines ( ï¬ ) Eigenvalue which would be needed to find the positive solution .
An analytical form of the ground state charge density distributions
for the low mass fp shell nuclei ( 40 A 56 ) is derived from a
simple method based on the use of the single particle wave functions
of the harmonic oscillator potential and the occupation numbers of
the states, which are determined from the comparison between theory
and experiment.
For investigating the inelastic longitudinal electron scattering form
factors, an expression for the transition charge density is studied
where the deformation in nuclear collective modes is taken into
consideration besides the shell model space transition density. The
core polarization transition density is evaluated by adopting the
shape of Tassie mod
In this study, we fabricated nanofiltration membranes using the electrospinning technique, employing pure PAN and a mixed matrix of PAN/HPMC. The PAN nanofibrous membranes with a concentration of 13wt% were prepared and blended with different concentrations of HPMC in the solvent N, N-Dimethylformamide (DMF). We conducted a comprehensive analysis of these membranes' surface morphology, chemical composition, wettability, and porosity and compared the results. The findings indicated that the inclusion of HPMC in the PAN membranes led to a reduction in surface porosity and fiber size. The contact angle decreased, indicating increased surface hydrophilicity, which can enhance flux and reduce fouling tendencies. Subsequently, we evaluated the e
... Show MoreBackground: Acute cholecystitis is common surgical
problem, which was treated previously by conservative
treatment .Later early open has been introduced as an
alternative to interval for treatment of acute cholecystitis.
Early open was found to be a safe, successful with
comparable postoperative complication rate. With the
advent of laparoscopy laparoscopic have been used for
chronic cholecystitis and became the first line of
treatment. New reports have shown that laparoscopic can
be used as an alternative to open for surgical treatment of
acute cholecystitis.
Objectives: to compare the success, safety of early
laparoscopic versus early open as a primary treatment of
acute cholecystitis.
Methods:
Among a variety of approaches introduced in the literature to establish duality theory, Fenchel duality was of great importance in convex analysis and optimization. In this paper we establish some conditions to obtain classical strong Fenchel duality for evenly convex optimization problems defined in infinite dimensional spaces. The objective function of the primal problem is a family of (possible) infinite even convex functions. The strong duality conditions we present are based on the consideration of the epigraphs of the c-conjugate of the dual objective functions and the ε-c-subdifferential of the primal objective functions.