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甲烷水合物分解及自保护效应的分子动力学模拟 总被引:7,自引:0,他引:7
采用分子动力学(MD)方法, 在温度T = 240, 260, 280和300 K的条件下模拟了Ⅰ型甲烷水合物晶体的分解过程. 研究发现,水合物分解后将在相界面上形成一层“准液膜”,准液膜中水分子的结构性质、空间取向和动力学性质均出现由“似晶”到“似液”的渐变过程. 在水合物分解过程中, 准液膜的存在对水分子和甲烷分子的扩散形成传质阻力. 由于甲烷分子必须穿过准液膜才能进入气相, 准液膜的传质阻力抑制了甲烷分子向气相的扩散过程, 致使水合物的分解速率随之降低, 从而产生自保护效应. 当温度低于水的冰点时, 准液膜中水分子的“似晶”程度较高, 准液膜的传质阻力较大, 自保护效应较明显. 当温度高于水的冰点时, 准液膜中水分子的“似液”程度较高, 准液膜的传质阻力显著下降, 水合物的自保护效应明显减弱. 相似文献
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重质油胶体聚集结构的耗散粒子动力学模拟 总被引:1,自引:0,他引:1
重质油是以沥青质为胶核分散于饱和油分中形成的极其复杂的胶体体系.本文采用耗散粒子动力学(DPD)方法研究重质油的胶体结构及其影响因素.根据重质油各组分的分子结构特征,构建了描述重质油组分的粗粒化模型化合物.模拟结果表明,本文构建的粗粒化模型能很好地反映重质油的胶体聚集结构.沥青质分子结构对胶体聚集结构有序性有显著影响,较高稠合程度的芳香环结构将使胶束结构有较高的有序性,烷基侧链则表现出分散作用.重质油中的胶质具有胶溶作用,胶质与沥青质的浓度比存在一个极限,当小于这个极限时,重质油将出现聚沉. 相似文献
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This paper develops a QKD (quantum key distribution)-based queueing
model to investigate the data delay on QKD link and network,
especially that based on trusted relays. It shows the mean
packet delay performance of the QKD system. Furthermore, it proposes a
key buffering policy which could effectively improve the delay
performance in practice. The results will be helpful for quality of
service in practical QKD systems. 相似文献
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We design a compact triplexer based on two-dimensional (2D) hexagonal lattice photonic crystals (PCs).A folded directional coupler (FDC) is introduced in the triplexer beside the point-defect micro-cavities and line-defect waveguides.Because of the reflection feedback of the FDC,high channel drop efficiency can be realized and a compact size with the order of micrometers can be maintained.The proposed device is analyzed using the plane wave expansion method,and its transmission characteristics are calculated using the finite-difference time-domain method.The footprint of the triplexer is about 12× 9 μm,and its extinction ratios are less than –20 dB for 1310 nm,approximately –20 dB for 1490 nm,and under –40 dB for 1550 nm,making it a potentially essential device in future fiber-to-the-home networks. 相似文献
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We propose a novel iteration-free blind phase noise estimation scheme for coherent optical orthogonal frequency division multiplexing (CO-OFDM) systems. In the new algorithm, the cost function is selected as the similar expression with real and imaginary parts as that in the modified constant modulus algorithm, and the new cost function is derived under some assumptions, where it is infinitely approximated by the sine and cosine functions. By means of the analytical formula of the cost function, the initial coarse common phase error can be obtained with only some samples, where the algorithm avoids computational complexity of conventional blind phase noise compensation scheme. In CO-OFDM systems with high-order modulation format (32 quadrature amplitude modulation) and narrow linewidth lasers, it is proved by the simulation results that the nhase noise can be effectively compensated with the proposed blind estimation method. 相似文献