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991.
Francisco Sastre Elizabeth Moreno-Hilario Maria Guadalupe Sotelo-Serna Alejandro Gil-Villegas 《Molecular physics》2018,116(3):351-360
The microcanonical-ensemble computer simulation method (MCE) is used to evaluate the perturbation terms Ai of the Helmholtz free energy of a square-well (SW) fluid. The MCE method offers a very efficient and accurate procedure for the determination of perturbation terms of discrete-potential systems such as the SW fluid and surpass the standard NVT canonical ensemble Monte Carlo method, allowing the calculation of the first six expansion terms. Results are presented for the case of a SW potential with attractive ranges 1.1 ≤ λ ≤ 1.8. Using semi-empirical representation of the MCE values for Ai, we also discuss the accuracy in the determination of the phase diagram of this system. 相似文献
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Doaa Abu Saleh Jukka Niskanen Yanming Xue Dmitri Golberg Françoise M. Winnik Alejandro Sosnik 《Materials Today Chemistry》2017
We report an organic-inorganic hybrid core-shell nanomaterial obtained by conjugation of an amphiphilic monomethoxy-poly(ethylene glycol)-b-poly(epsilon-caprolactone) diblock copolymer to hydroxylated boron nitride nanotubes (BNNTs). The extent of copolymer grafting reached 64% w/w, an exceptionally high value. The hybrid materials exhibit excellent physical stability in water and an outstanding loading capacity (31.3% w/w) for curcumin, a hydrophobic drug. Moreover, they present good compatibility with the Caco2 cell line, a model of intestinal epithelium. Our findings demonstrate the potential of multifunctional hybrid BNNTs to serve as a platform for complex amphiphilic nanoparticle architectures with improved features. 相似文献
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Salvador García Daniel Molina Manuel Lozano Francisco Herrera 《Journal of Heuristics》2009,15(6):617-644
In recent years, there has been a growing interest for the experimental analysis in the field of evolutionary algorithms.
It is noticeable due to the existence of numerous papers which analyze and propose different types of problems, such as the
basis for experimental comparisons of algorithms, proposals of different methodologies in comparison or proposals of use of
different statistical techniques in algorithms’ comparison.
In this paper, we focus our study on the use of statistical techniques in the analysis of evolutionary algorithms’ behaviour
over optimization problems. A study about the required conditions for statistical analysis of the results is presented by
using some models of evolutionary algorithms for real-coding optimization. This study is conducted in two ways: single-problem
analysis and multiple-problem analysis. The results obtained state that a parametric statistical analysis could not be appropriate
specially when we deal with multiple-problem results. In multiple-problem analysis, we propose the use of non-parametric statistical
tests given that they are less restrictive than parametric ones and they can be used over small size samples of results. As
a case study, we analyze the published results for the algorithms presented in the CEC’2005 Special Session on Real Parameter
Optimization by using non-parametric test procedures. 相似文献
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Dimitrios Priftis Georgios Sakellariou Nikos Hadjichristidis Evis K. Penott Arnaldo T. Lorenzo Alejandro J. Müller 《Journal of polymer science. Part A, Polymer chemistry》2009,47(17):4379-4390
Multiwalled carbon nanotubes (MWNTs) were functionalized with 2‐hydroxyethyl benzocyclobutene (BCB‐EO) through a Diels–Alder cycloaddition reaction. The functionalized MWNTs were utilized for the surface initiated ring opening (ROP) catalyzed and anionic polymerization of ε‐caprolactone (ε‐CL) and ethylene oxide (EO), respectively. The kinetics of the ROP of ε‐CL was monitored through thermogravimetric analysis (TGA) which revealed that the polymerization proceeds very fast as compared to that of EO and that both polymerizations could be controlled with time. 1H NMR, Raman and FTIR spectroscopy, TGA, DSC, and transmission electron microscopy (TEM) were employed for the characterization of these polymer/CNT hybrids. DSC results showed that a remarkable nucleation effect is produced by MWNTs that reduced the supercooling needed for crystallization of both PεCL and PEO. Furthermore, the isothermal crystallization kinetics of the grafted PεCL and PEO was substantially accelerated compared to the neat polymers. The strong impact on the nucleation and crystallization kinetics is attributed to the covalent MWNT‐polymer bonding. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 4379–4390, 2009 相似文献