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91.
We use the PCP-SAFT equation of state, which is of the Van der Waals type and has a sound physical basis, to predict mixture properties, such as vapor–liquid and liquid–liquid equilibria, as well as excess enthalpies. We use molecular properties, such as dipole moment, quadrupole moment, polarizability and dispersion interaction coefficients, that have been determined quantum mechanically in Part I of this publication and adjust the remaining three pure compound parameters to pure compound data. We finally present a new combination rule for the dispersion energy parameter ? that is based on the quantum mechanically determined data. The predictions based on quantum mechanically determined pure compound properties along with the new combination rule show an improved performance compared to the original PCP-SAFT combination rule. 相似文献
92.
Effect of the subdivision strategy on convergence and efficiency of some global optimization algorithms 总被引:2,自引:0,他引:2
Hoang Tuy 《Journal of Global Optimization》1991,1(1):23-36
We investigate subdivision strategies that can improve the convergence and efficiency of some branch and bound algorithms of global optimization. In particular, a general class of so called weakly exhaustive simplicial subdivision processes is introduced that subsumes all previously known radial exhaustive processes. This result provides the basis for constructing flexible subdivision strategies that can be adapted to take advantage of various problem conditions. 相似文献
93.
Jeannette Van Iseghem 《Numerical Algorithms》2002,29(1-3):267-279
A method for solving a linear system is defined. It is a Lanczos-type method, but it uses formal vector orthogonality instead of scalar orthogonality. Moreover, the dimension of vector orthogonality may vary which gives a large freedom in leading the algorithm, and controlling the numerical problems. The ideas of truncated and restarted methods are revisited. The obtained residuals are exactly orthogonal to a space of increasing dimension. Some experiments are done, the problem of finding automaticaly good directions of projection remains partly open. 相似文献
95.
Remco van der Hofstad Gerard Hooghiemstra Piet Van Mieghem 《Random Structures and Algorithms》2002,20(4):519-539
In this paper we study the covariance structure of the number of nodes k and l steps away from the root in random recursive trees. We give an analytic expression valid for all k, l and tree sizes N. The fraction of nodes k steps away from the root is a random probability distribution in k. The expression for the covariances allows us to show that the total variation distance between this (random) probability distribution and its mean converges in probability to zero. © 2002 Wiley Periodicals, Inc. Random Struct. Alg., 20: 519–539, 2002 相似文献
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利用扫描隧道显微镜研究石墨表面的大尺度周期性图样.研究结果表明,莫尔图起源于石墨深层的缺陷,实验结果与理论完全吻合,并且第一次在实验上证明了纳米波可以穿透多层石墨而没有明显衰减. 相似文献
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