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Constructing a small organic molecule by using the derivative of oxadiazole for photovoltaic applications

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Optoelectronics Letters 2024年第12期20卷 728-735页

作者： hussein k.mejbel Abdulrsool H.AL-TAHER Fayez A.NAMAH Lafy F.AL-BADRY Department of Physics College of Education for Pure ScienceUniversity of Thi-QarNassiriya 64001Iraq Directorate-General for Education Dhi Qar Nassiriya 64001Iraq Department of Physics College of ScienceUniversity of Thi-QarNassiriya 64001Iraq

Because of their elasticity,light weight,little cost,and wide-area applications,besides a notable increase in power conversion efficiency(PCE),organic solar cells(OSCs)have recently caught the concern of numerous *** the current project,we created a variety of organic small compounds as donor materials by using Gaussian *** design approach entails swapping the core part,which is benzothiadiazole(BT),based on a derivative of oxadiazole,as the terminals on both sides of the prototype compound(RM)with a variety of fragments to improve the electronic and optic characterization and performance for PCE in *** theoretical consideration under density-functional theory(DFT)and time-dependent density functional theory(TD-DFT)at the B3LYP/6-31G(d,p)basis set was made to find the maximum absorption wavelength λ_(max),the efficiency of light harvesting(LHE),excitation energy(E_(x)),highest occupied molecular orbital(HOMO)and lowest occupied molecular orbital(LOMO)levels,energy band gap(E_(g)),dipole moment(ρ),the density of state(DOS),ionization potential(IP),electron affinity(EA),fill factor(FF),and open circuit voltage(V_(oc))of molecules RM and TS studied in a methodical *** values revealed that proposed compounds T1T4 can be encouraging materials for manufacturing OSCs as a donor tiny compound with acceptor PC6BM to predict a rise in PCE owing to their possession of proper values for some optical and electronic features,like the lowest HOMO level,narrower band gaps,and a greater absorption wavelength compared with the reference model RM.

关键词： derivative donor orbital

Synthesis, Characterization and Corrosion Inhibitive Properties of New Thiazole Based Polyamides Containing Diarylidenecyclohexanone Moiety

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Chinese Journal of Polymer Science 2015年第1期33卷 1-13页

作者： k.I.Aly M.A.hussein Polymer Chemistry Lab. 122 Chemistry Department Faculty of Science Assiut University Assiut 71516 Egypt Chemistry Department Faculty of Science King Abdulaziz UniversityJeddah 21589 Kingdom of Saudi Arabia

The present work aimed to synthesize a new interesting series of thiazole based polyamides containing diarylidenecyclohexanone moiety 5a-5f using low temperature solution polycondensation technique. The new polymers were synthesized by the reaction of thiazole based monomer namely, bis（2-aminothiazol-4-ylbenzylidene）cyclohexanone 3 with different aliphatic and aromatic diacid chlorides using NMP, and in the presence of anhydrous Li Cl as catalyst. Adipoyl, sebacoyl, oxaloyl, terephthaloyl, isophthaloyl dichlorides and biphenyl dicarbonyl dichloride were used as diacid chlorides. The structure of the model compound 4 as well as the new polymers was confirmed by correct elemental and spectral analyses. The thermal properties of those polymers were evaluated by TGA and DTG measurements and correlated to their structural units, beside X-ray diffraction analysis, solubility and viscometry measurements. The inherent viscosities for the synthesized polymers were in the range 0.6–1.03 d L/g. On the other hand the corrosion inhibitive properties of monomer 3 as well as polyamides 5d and 5f as selected examples were carried out on carbon-steel in 0.5 mol/L H2SO4 at 40 °C. The calculated inhibition efficiency（IE%） for polymer 5d was in the range（82 ± 6）% in all selected concentrations. The best value of IE% was obtained at 1 mg/L to reach 98.24% for polymer 5d and at 0.5 mg/L to reach 87.75% for polymer 5f.

关键词： Diarylidenecyclohexanone Polyamides Synthesis Characterization Thiazole Corrosion inhibitive properties.

Crystal lattice free volume and thermal decomposition of nitramines

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Defence Technology（防务技术） 2019年第1期15卷 51-57页

作者： Svatopluk Zeman Ning Liu Ahmed k.hussein Institute of Energetic Materials Faculty of Chemical TechnologyUniversity of Pardubice Xi’an Modern Chemistry Research Institute

The linear, directly proportional, equations between the Arrhenius parameters(E_α, and log A) of the thermal decomposition and the crystal lattice free space per molecule, △V, of 22 nitramines are described. It is shown that, because of a significant limitation by the molecular structural characteristics of such compounds, they are divided into a number of partial relationships. These partial relationships divide the nitramines into a group of substances relating to dimethyl nitramine and a sub-group related to e-HNIW. These directly proportional equations mean that an increase in the △Vvalues is related to an increase in the thermal stability of the corresponding nitramines. A comparison with similar published dependencies for the impact and friction sensitivities, on the one hand, and with the relationship between the E_a values and the sum of the negative and positive extremes of molecular surface electrostatic potentials, on the other, confirms the well-known fact that intermolecular interaction in the nitramines studied plays a decisive role in the thermal reactivity of such compounds. The crystal lattice free space manifests itself here perhaps only in the solid state thermal decomposition of RDX, HMX and DINGU. This study again confirms a level of disorder in the distribution of the forces in the crystal lattice of the"common" quality of e-HNIW,compared with its "reduced sensitivity(RS)" or pure analogues.

关键词： Crystal lattice Thermal decomposition Initiation reactivity Nitramines

The role of crystal lattice free volume in nitramine detonation

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Defence Technology（防务技术） 2019年第4期15卷 519-525页

作者： Svatopluk Zeman Ning Liu Ahmed k. hussein Institute of Energetic Materials Faculty of Chemical Technology University of Pardubice CZ-532 10 Pardubice Czech Republic Xi'an Modern Chemistry Research Institute Xi'an Shaanxi 710065 China Military Technical College Kobry Elkobbah Cairo Egypt

Crystal lattice free volumes,△V,of 22 nitramines introduced into relationships of maximal theoretical crystal densities(TMD),detonation velocities(D)and volume heats of explosives(ρ.Q).Values of all these characteristics increase with an increase in the AV ***,more realistic dependencies for the TMD and D values are obtained by using correlations with ratio of the intrinsic molecular volume,Vint,to△V(***/△V),whereby the dependence on the D values reflects their similar relationship to a sum of the positive(VS,max)and negative(VS,min)extremes of the molecular surface electrostatic potentials(VS,∑).Also,directly proportional linear relationships are specified between the VS,∑ values on the one hand,and the △V and Vint/△V values,on the *** is stated that the crystal lattice free volumes might have a similar role in detonation of nitramines as the intermolecular force effect in their molecular crystals(they are as if representative of such forces).

关键词： Crystal lattice Detonation Initiation reactivity Nitramines

Well-Posedness and Exponential Estimates for the Solutions to Neutral Stochastic Functional Differential Equations with Infinite Delay

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Journal of Systems Science and Information 2020年第5期11卷 434-446页

作者： hussein k.ASkER Department of Mathematics Faculty of Computer Science and MathematicsKufa UniversityIraq Department of Mathematics College of ScienceSwansea UniversityUK

In this work,neutral stochastic functional differential equations with infinite delay(NSFDEw ID)have been *** using the Euler-Maruyama scheme and a localization argument,the existence and uniqueness of solutions to NSFDEw ID at the state space Cr under the local weak monotone condition,the weak coercivity condition and the global condition on the neutral term have been *** addition,the L2 and exponential estimates of NSFDEw ID have been studied.

关键词： neutral stochastic functional differential equations infinite delay state space C_r Euler-Maruyama scheme

Cell surface-expression of the phosphate-binding protein PstS:System development,characterization,and evaluation for phosphorus removal and recovery

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Journal of Environmental Sciences 2020年第6期32卷 129-140页

作者： Faten B.hussein kaushik Venkiteshwaran Brooke k.Mayer Department of Civil Construction and Environmental EngineeringMarquette UniversityMilwaukeeWI53233USA

Simultaneous overabundance and scarcity of inorganic phosphate(Pi)is a critical issue driving the development of innovative water/wastewater treatment technologies that not only facilitate Pi removal to prevent eutrophication,but also recover Pi for agricultural ***,a cell-surface expressed high-affinity phosphate binding protein(PstS)system was developed,and its Pi capture and release potential was *** was genetically modified to express PstS on its outer membrane using the ice nucleation protein(INP)as an anchoring *** of protein expression and localization were performed utilizing SDS-polyacrylamide gel electrophoresis(SDS-PAGE),western blot,and outer membrane separation *** surface characterization was investigated through acid-base titration,X-ray photoelectron spectroscopy(XPS),and Fourier transform infrared spectroscopy(FTIR).These tests provided information on the macromolecular structure and composition of the bacteria surface as well as the proton-exchange properties of the surface functional groups(i.e.,pka values).Phosphate desorption and adsorption batch experiments were conducted to evaluate the effects of temperature,pH,and ionic strength on phosphate capture and *** PstS surface-displayed cells demonstrated greater potential to release and capture phosphate compared to non-modified *** temperatures up to 40℃,basic pH conditions(pH=10.5),and higher ionic strength up to 1.0 mol/L kCl promoted 20%-50%higher phosphate release.

关键词： Phosphorus recovery Water treatment Eutrophication Surface-expression PstS protein E.coli bacteria Phosphate

Effect of energy content of the nitraminic plastic bonded explosives on their performance and sensitivity characteristics

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Defence Technology（防务技术） 2019年第4期15卷 488-494页

作者： Svatopluk Zeman Ahmed k. hussein Marcela Jungova Ahmed Elbeih Institute of Enegetic Materials Faculty of Chemical Technology University of Pardubice CZ-532 10 Pardubice Czechia Military Technical College Kobry Elkobbah Cairo Egypt

Information about the forty nine nitraminic plastic bonded explosives(PBXs)and different nitramines were *** of these PBXs are nitramines 1,3,5-trinitro-1,3,5-triazinane(RDX)and β-1,3,5,7-tetranitro-1,3,5-tetrazocane(β-HMX),cis-1,3,4,6-tetranitro-octahydroimidazo-[4,5-d]imidazole(bicyclo-HMX,BCHMX)and e-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(e-HNIW,CL-20)which are bonded by polyfluoro-elastomers,polydimethyl-siloxane,poly-glycidyl azide,polyisobutylene,polystyrene-butadiene,poly-acrylonitrile-butadiene and hydroxyl-terminated polybutadiene in addition to a melt cast compositions based on 2,4,*** thirty two of these PBXs the relationships are specified and analyzed between heats of their combustion and relative explosive strengths;by means of these relationships it might be possible to estimate,which groupings in the macromolecule of binder could be liable to their primary fission in the PBXs ***,for forty two of these explosives,the relationships are described and analyzed between their enthalpies of formation and impact sensitivities;here is especially attention paid to PBXs filled by *** rate constants from Vacuum Stability Test(VST)of four nitramines and twenty PBXs are introduced into relationships with their enthalpies of *** to all the mentioned cases,increasing of energy content of the studied explosives leads to increase of the relative explosive strength or initiation reactivity,*** with the opposite trend,the outputs of VST are for BCHMX,where in PBXs are matrices with the esteric plasticizers or the energetic poly-glycidyl *** of RDX or HMX,respectively,into the BCHX PBXs gives ternary PBXs whose thermal stability,in the sense of applied VST,is higher comparing to the original binary explosives.

关键词： Enthalpy Explosive strength Combustion Nitramines PBX Thermal stability

Efficient Computation Offloading of IoT-Based Workflows Using Discrete Teaching Learning-Based Optimization

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Computers, Materials & Continua 2022年第11期73卷 3685-3703页

作者： Mohamed k.hussein Mohamed H.Mousa Department of Computer Science Faculty of Computers and InformaticsSuez Canal UniversityIsmailiaEgypt Department of Information Technology College of Computer Science at AlKamilUniversity of JeddahJeddahSaudi Arabia

As the Internet of Things(IoT)and mobile devices have rapidly proliferated,their computationally intensive applications have developed into complex,concurrent IoT-based workflows involving multiple interdependent *** exploiting its low latency and high bandwidth,mobile edge computing(MEC)has emerged to achieve the high-performance computation offloading of these applications to satisfy the quality-of-service requirements of workflows and *** this study,we propose an offloading strategy for IoT-based workflows in a high-performance MEC *** proposed task-based offloading strategy consists of an optimization problem that includes task dependency,communication costs,workflow constraints,device energy consumption,and the heterogeneous characteristics of the edge *** addition,the optimal placement of workflow tasks is optimized using a discrete teaching learning-based optimization(DTLBO)*** experimental evaluations demonstrate that the proposed offloading strategy is effective at minimizing the energy consumption of mobile devices and reducing the execution times of workflows compared to offloading strategies using different metaheuristics,including particle swarm optimization and ant colony optimization.

关键词： High-performance computing internet of things(IoT) mobile edge computing(MEC) workflows computation offloading teaching learning-based optimization

An energetic nano-fiber composite based on polystyrene and 1,3,5-trinitro-1,3,5-triazinane fabricated via electrospinning technique

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Defence Technology（防务技术） 2023年第9期27卷 1-8页

作者： Mahmoud Abdelhafiz Ahmed k.hussein Waleed F.khalil Ahmed Elbeih Military TechnicalCollege(MTC) KobryElkobbahCairoEgypt Safety FuelCycleDepartment NRSRCEgyptianAtomicEnergyAuthority(EAEA)CairoEgypt

Electrospinning is a simple technique used to fabricate polymeric nano-fibrous *** nano-fibers have found a wide range of valuable applications in the biomedical ***,it has not been utilized with solid high explosives ***,the electrospinning technique has been used to fabricate polystyrene(PS)/1,3,5-trinitro-1,3,5-triazinane(RDX)composite *** governed electrospinning parameters,voltage,distance from the collector,flow rate,mandrel rotating speed,time,and solution concentration,that greatly affect the morphology of the obtained nanofibers were *** fabricated PS/RDX nano-fibers were characterized using scanning electron microscopy(SEM),X-ray diffractometer(XRD),and Fourier Transform Infrared(FTIR)*** impact and friction sensitivities of PS/RDX were also *** thermal behavior of the prepared composite and the pure materials were studied by the thermal gravimetric analysis technique(TGA).SEM results proved the fabrication of PS/RDX fibers in the nano-size via *** spectroscopy confirmed the existence of the characteristic functional groups of both PS and RDX in the composite *** sharp peaks showed the conversion of amorphous PS into crystalline shape via electrospinning and also confirmed the formation of PS/RDX *** PS fibers absorbed the heat and increased the onset decomposition of the pure RDX from 181.5 to 200.7℃in the case of PS/RDX ***,PS/RDX nano-fibers showed the relatively low impact and friction sensitivities of 100 J and 360 N *** results could introduce PS/RDX nanofibrous composite in the field of explosives detection with high levels of safety.

关键词： Electrospinning Nano-fibers 1,3,5-Trinitro-1,3,5-triazinane(RDX) Polystyrene(PS) Sensitivity