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Molecular simulation study of the microstructures and properties of pyridinium ionic liquid[HPy][BF_(4)]mixed with acetonitrile
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作者 XU Jian-Qiang MA Zhao-Peng +2 位作者 CHENG Si LIU Zhi-Cong ZHU Guang-Lai 《原子与分子物理学报》 CAS 北大核心 2025年第4期27-32,共6页
The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo... The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently. 展开更多
关键词 Pyridinium ionic liquids Thermodynamic properties Molecular dynamics simulation Radial distribution functions
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Coverage of communication-based sensor nodes deployed location and energy efficient clustering algorithm in WSN 被引量:6
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作者 Xiang Gao Yintang Yang Duan Zhou 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2010年第4期698-704,共7页
An effective algorithm based on signal coverage of effective communication and local energy-consumption saving strategy is proposed for the application in wireless sensor networks.This algorithm consists of two sub-al... An effective algorithm based on signal coverage of effective communication and local energy-consumption saving strategy is proposed for the application in wireless sensor networks.This algorithm consists of two sub-algorithms.One is the multi-hop partition subspaces clustering algorithm for ensuring local energybalanced consumption ascribed to the deployment from another algorithm of distributed locating deployment based on efficient communication coverage probability(DLD-ECCP).DLD-ECCP makes use of the characteristics of Markov chain and probabilistic optimization to obtain the optimum topology and number of sensor nodes.Through simulation,the relative data demonstrate the advantages of the proposed approaches on saving hardware resources and energy consumption of networks. 展开更多
关键词 wireless sensor network probability distribution function Markov chain received signal strength indicator Gaussian distribution.
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Analysis of inhibition of concrete steel-rebar corrosion by Na_2Cr_2O_7 concentrations:Implications for conflicting reports on inhibitor effectiveness 被引量:1
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作者 J.O.Okeniyi I.O.Oladele +4 位作者 I.J.Ambrose S.O.Okpala O.M.Omoniyi C.A.Loto A.P.I.Popoola 《Journal of Central South University》 SCIE EI CAS 2013年第12期3697-3714,共18页
Corrosion test data were measured using non-destructive electrochemical techniques and analysed for studying inhibition effectiveness by different concentrations of NazCr207 on the corrosion of concrete steel-rehar in... Corrosion test data were measured using non-destructive electrochemical techniques and analysed for studying inhibition effectiveness by different concentrations of NazCr207 on the corrosion of concrete steel-rehar in NaC1 and in H2SO4 media. For these, specifications of ASTM G16-95 R04 were combined with the normal and the Gumbel probability density functions as model analytical methods for addressing issues of conflicting reports of inhibitor effectiveness that had generated concerns. Results show that reinforced concrete samples admixed with concentrations having 4 g (0.012 7 tool), 8 g (0.025 4 mol) and 6 g (0.019 l tool) NaaCr207 exhibited, in that order, high inhibition effectiveness, with respective efficiency, r/, of (90.46±1.30)%, (88.41+2.24)% and (84.87±4.74)%, in the NaC1 medium. These exhibit good agreements within replicates and statistical methods for the samples. Also, optimal inhibition effectiveness model in the H2SO4 medium was exhibited by 8 g (0.025 4 mol) Na2Cr207 concentration having r/=(78.44±1.10)%. These bear implications for addressing conflicting test data in the study of effective inhibitors for mitigating steel-rebar corrosion in aggressive environments. 展开更多
关键词 corrosion inhibitor effectiveness saline/marine and industrial/microbial environments concrete steel-rebar normal andGumbel probability distribution functions Kolmogorov-Smirnov statistics tests of significance
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Modeling of radiative properties of metallic microscale rough surface 被引量:1
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作者 王爱华 蔡九菊 《Journal of Central South University》 SCIE EI CAS 2012年第6期1482-1487,共6页
The radiative properties of a gold surface with one-dimensional Gaussian random roughness distribution were obtained with the finite-difference time-domain (FDTD) method and the recursive convolution treatment of th... The radiative properties of a gold surface with one-dimensional Gaussian random roughness distribution were obtained with the finite-difference time-domain (FDTD) method and the recursive convolution treatment of the Drude Model. The bi-directional reflection distribution function (BRDF) for both TM mode and TE mode were obtained and compared with the highly accurate experimental data from the earlier work. The incident wavelength varies from 1.152 μm to 3.392 μm and incident angle is at 300-70°, respectively. The results show that, the predicted values and experimental results are in good agreement. The highly specular peak in the BRDF is reproduced in the numerical simulations, and the increase of the TM mode BRDF is found to be attributed to the effect of a variation in the optical constant at the incident wavelength period. 展开更多
关键词 bi-directional reflection distribution function Gaussian random roughness distribution gold surface finite-differencetime-domain method
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A new analytical algorithm for computing probability distribution of project completion time
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作者 侯振挺 张玄 孔祥星 《Journal of Central South University》 SCIE EI CAS 2010年第5期1006-1010,共5页
An analytical algorithm was presented for the exact computation of the probability distribution of the project completion time in stochastic networks,where the activity durations are mutually independent and continuou... An analytical algorithm was presented for the exact computation of the probability distribution of the project completion time in stochastic networks,where the activity durations are mutually independent and continuously distributed random variables. Firstly,stochastic activity networks were modeled as continuous-time Markov process with a single absorbing state by the well-know method of supplementary variables and the time changed from the initial state to absorbing state is equal to the project completion time.Then,the Markov process was regarded as a special case of Markov skeleton process.By taking advantage of the backward equations of Markov skeleton processes,a backward algorithm was proposed to compute the probability distribution of the project completion time.Finally,a numerical example was solved to demonstrate the performance of the proposed methodology.The results show that the proposed algorithm is capable of computing the exact distribution function of the project completion time,and the expectation and variance are obtained. 展开更多
关键词 stochastic activity networks project completion time distribution function Markov process supplementary variable technique
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Load distributions of some classic DHTs
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作者 Nie Xiaowen Lu Xianliang +2 位作者 Zhou Xu Tang Hui Li Lin 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2009年第2期400-404,共5页
The load balance is a critical issue of distributed Hash table (DHT), and the previous work shows that there exists O(logn) imbalance of load in Chord. The load distribution of Chord, Pastry, and the virtual serve... The load balance is a critical issue of distributed Hash table (DHT), and the previous work shows that there exists O(logn) imbalance of load in Chord. The load distribution of Chord, Pastry, and the virtual servers (VS) balancing scheme and deduces the closed form expressions of the probability density function (PDF) and cumulative distribution function (CDF) of the load in these DHTs is analyzes. The analysis and simulation show that the load of all these DHTs obeys the gamma distribution with similar formed parameters. 展开更多
关键词 distributed Hash table load balance probability density function cumulative distribution function
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Hydrodynamic behaviour of the lateral flow biological aerated filter
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作者 何强 王胤 +2 位作者 方俊华 张红津 许静 《Journal of Central South University of Technology》 EI 2006年第4期412-416,共5页
Pulsed signal experiment was carried out to determine the hydrodynamic behaviours of lateral flow biological aerated filter(LBAF). With the analysis of experimental results, LBAF is viewed as an approximate plug flow ... Pulsed signal experiment was carried out to determine the hydrodynamic behaviours of lateral flow biological aerated filter(LBAF). With the analysis of experimental results, LBAF is viewed as an approximate plug flow reactor, and hydraulic retention time distribution function was derived based on LBAF. The results show that flow rate and aeration strength are two critical factors which influence flow patterns in LBAF reactor. The hydrodynamic behaviour analysis of LBAF is the theoretical basis of future research on improving capacity factor and developing kinetic model for the reactor. 展开更多
关键词 lateral flow biological aerated filter flow pattern experiment hydraulic retention time distribution function
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