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The Structure and Thermodynamic Stability of Reverse Micelles in Dry AOT/Alkane Mixtures 干AOT/烷烃混合物中反胶束的结构和热力学稳定性
IF 1.2 Q4 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2008-02-27 DOI: 10.1063/1.2897802
A. Wootton, Francois Picavez, P. Harrowell
Monte Carlo simulation studies of reverse micelles of an anionic surfactant, sodium AOT, in a non‐polar solvent provide strong evidence that, in the absence of water, these clusters are charge ordered polyhedral shells. The stabilizing energy of these clusters is so large that the entropy of mixing is, in comparison, inconsequential and we predict that, if all waters of hydration could be removed (something not yet accomplished for the sodium salt) then AOT would be insoluble in nonpolar solvents.
阴离子表面活性剂AOT钠在非极性溶剂中的反胶束的蒙特卡罗模拟研究提供了强有力的证据,证明在没有水的情况下,这些团簇是电荷有序的多面体壳。这些团簇的稳定能量是如此之大,相比之下,混合的熵是无关紧要的,我们预测,如果所有的水化水都能被去除(钠盐还没有完成),那么AOT将不溶于非极性溶剂。
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引用次数: 8
Monte Carlo Simulation for Ternary System of Water/Oil/ABA Triblock Copolymers 水/油/ABA三嵌段共聚物三元体系的蒙特卡罗模拟
IF 1.2 Q4 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2008-02-27 DOI: 10.1063/1.2897844
N. Nakagawa, K. Ohno
We performed Monte Carlo simulation of water/oil/ABA triblock amphiphiles with hydrophilic A and hydrophobic B, on a 51×51×51 simple cubic lattice with periodic boundary conditions in x‐ and y‐directions. Bond fluctuation model(BFM) was used to describe amphiphile, where excluded volume effect and flexible movement of polymer bonds are ascertained. The ratio of water to oil was changed from 10/85 to 50/45 with 5% fixed dilute amphiphiles. For small water/oil ratio, many cubic water clusters surrounded by loop‐shaped amphiphiles dispersed in oil and they were bridged between each other by bridge‐shaped amphiphiles. On the other hand, phase separation between water and oil plus amphiphiles clearly occurred for large water/oil ratio, where water formed one grid‐shaped cluster. At some intermediate water/oil ratio, water cells aggregated into two water clusters with shape of rectangular rod, spread in x‐ and y‐directions and separated in z‐direction by mainly loop‐shaped amphiphiles, where water clusters and ...
我们在具有x -和y -方向周期性边界条件的51×51×51简单立方晶格上对亲水A和疏水B的水/油/ABA三嵌段两亲体进行了蒙特卡罗模拟。用键波动模型(BFM)描述两亲体,确定了排除的体积效应和聚合物键的柔性运动。将水油比由10/85改为50/45,固定稀释5%的两亲体。当水/油比较小时,许多被环状两亲体包围的立方水团簇分散在油中,并通过桥状两亲体相互连接。另一方面,当水/油比较大时,水、油和两亲体之间明显发生相分离,水形成一个网格状簇。在某些中等水/油比下,水细胞聚集成两个矩形棒状的水团,在x和y方向上扩散,在z方向上主要由环状两亲体分离。
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引用次数: 1
The effect of asynchronous change on a complex system's behaviour 异步变化对复杂系统行为的影响
IF 1.2 Q4 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2005-12-01 DOI: 10.1117/12.638801
J. Mansfield
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引用次数: 0
Mixed IFS: Resolution of the Inverse Problem using Genetic Programming 混合IFS:用遗传规划求解逆问题
IF 1.2 Q4 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 1995-09-04 DOI: 10.1007/3-540-61108-8_42
E. Lutton, J. L. Véhel, Guillaume Cretin, Philippe Glevarec, Cidric Roll
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引用次数: 53
Nonbinary Transforms for Genetic Algorithm Problems 遗传算法问题的非二元变换
IF 1.2 Q4 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 1994-04-11 DOI: 10.1007/3-540-58483-8_4
Paul Field
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引用次数: 7
Structurally Dynamic Cellular Automata 结构动态元胞自动机
IF 1.2 Q4 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 1987-01-01 DOI: 10.1007/978-0-387-30440-3_528
Andrew Ilachinski, Paul Halpern
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引用次数: 44
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Complex Systems
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