ABC三嵌段共聚物胶束从多间隔结构到多核结构转变的Monte Carlo模拟

采用Monte Carlo模拟方法研究了疏水-亲水-疏水(H-P-H)型ABC三嵌段共聚物在B嵌段的选择性溶剂中的自组装行为. 模拟结果表明, 通过调节A嵌段和C嵌段的疏水性和二者之间的不相容性, 体系中可以形成多种形貌各异的胶束. 根据胶束中疏水核结构的特点, 这些胶束大体上可以被分为多核型胶束和多间隔型胶束两种类型. 通过增强疏水嵌段的疏水性或降低A嵌段和C嵌段间的不相容性, H-P-H型ABC三嵌段共聚物胶束能够发生从多核型胶束向多间隔型胶束的转变. 进一步分析胶束中聚合物的链构象等微观结构信息发现, A嵌段和C嵌段间的排斥作用和疏水作用之间存在竞争关系, 而这种竞争关系是影响体系中形成多核型胶束还是多间隔型胶束的决定性因素.     

Computer Simulation Study on Adsorption and Conformation of Polymer Chains Driven by External Force

In this work, Monte Carlo simulations are used to study the critical adsorption behaviors of flexible polymer chains under the action of an external driving force F parallel to an attractive flat surface. The critical adsorption temperature T_c decreases linearly with increasing F,indicating that the driving force suppresses the adsorption of polymer. The conformation of polymer is also affected by the driving force.However, the effect of F is dependent on the competition between the driving force and temperature. Under strong force or at low temperature,the polymer is stretched along the direction of the force, while under weak force or at high temperature, the polymer is not stretched. When the force is comparable to the temperature, the polymer may be stretched perpendicular to the driving force, and below T_c, we observe conformational transitions from parallel to perpendicular and again to parallel by decreasing the temperature. We found that the perpendicular stretched conformation leads the polymer chain to synchronously move along the direction of the driving force. Moreover, the conformational transitions are attributed to the competition and cooperation between the driving force and the temperature.     

A sustainable method of mitigating acid corrosion of mild steel using jackfruit pectin (JP) as green inhibitor: Theoretical and electrochemical studies

This study is attempted to develop a green corrosion inhibitor from a waste material of Jack fruit (Artocarpus heterophyllus). This method is therefore quite valuable to health, environment, and economic point of view. Pectin is isolated from the jackfruit peel waste using 0.05 ?N oxalic acid and used as an inhibitor for mild steel corrosion in acidic environment as it is highly water soluble. 250–1000 ?ppm of pectin was used in this study at a temperature range of 303–323 ?K. The protection efficiency of jack fruit pectin (JP) in 0.5 ?M HCl was evaluated by conventional weight loss and electrochemical techniques. The potentiodynamic polarization results revealed that JP could effectively reduce the corrosion of mild steel in acidic medium at 1000 ?ppm concentration with an inhibition efficiency of 89.75% and corrosion rate of 2.392 mpy. The mixed type behavior of the inhibitor is identified from Tafel polarization studies. Electrochemical impedance spectroscopy (EIS) measurements suggest that the corrosion inhibition process is kinetically controlled. adsorption and kinetic behavior of the inhibitor also have been studied. Surface manifestations were followed using FESEM and AFM techniques. DFT calculations and Monte Carlo simulations were also carried out to corroborate the experimental results with theoretical outputs and succeeded to a great extent.     

岩体质量分级的风险分析方法

提出了基于RMR岩体质量分级系统的岩体质量研究风险分析方法。该方法分析步骤如下 :(1)通过岩芯样品的现场观测和实验室试验获得分类所需的变量 ;(2 )统计分析拟合得出各变量的分布函数及参数 ;(3)运用Monte Carlo模拟方法获得 2万个RMR值 ,并将结果绘成岩体质量描述图 ;(4)利用以上结果作出岩体质量风险分析评价。该方法用于润扬长江公路大桥岩体质量评价研究获得良好效果     

自紧身管疲劳寿命的可靠性分析

基于概率断裂力学理论和Monte Carlo模拟方法，给出了自紧身管疲劳寿命的可靠性分析方法．自紧残余应力采用了符合身管材料具有强化和包辛格效应性能推导的公式计算，身管工作的应力强度因子通过权函数方法得到．实例分析结果表明，对数正态分布为身管疲劳寿命的最佳分布，同时给出了各种置信度和可靠度下的身管疲劳寿命．另外，还分析了初始裂纹尺寸和材料的断裂韧性对身管疲劳寿命的影响．该研究对保证身管的安全，避免灾难性事故的发生具有重要意义．     

北斗双星/SINS组合导航系统滤波模型的一致性研究

北斗双星定位系统（简称双星定位）是我国自行建立的一种定位系统.根据北斗双星定位系统采用有源定位的特点,介绍了北斗双星与SINS组合的最优预测模型,该方法利用了双星定位系统提供的滞后定位信息对组合系统进行最优预测,进而校正惯导;同时为验证该滤波方法对状态估计的一致性,文中重点研究了滤波器一致性的准则,并给出了检验的统计量.理论研究和试验仿真证明,文中介绍的滤波器与系统是匹配的,具有较高的滤波性能和精度.     

Possibility of acceleration of the threshold processes for multi-component gas in the front of a shock wave

Studies of translational nonequilibrium in the front of a shock wave propagating in a three-component gas were performed by the Monte Carlo simulation method. Simulations were performed for mixtures of components with molecular mass ratios , and shock Mach number . The distribution of relative velocities for pairs of molecules of heavy low-concentration additives 2 and 3 substantially exceeded, in the front, its equilibrium values behind the wave at high values of . The maximum value of this superequilibrium was about for the numerical density ratio: 1000:1:1 and . Calculations showed that high values of the effect of superequilibrium take place up to a ratio of densities 200:1:1. Simulations performed for and a mixture of He, molecular oxygen and Xe with the numerical density ratio 200:1:1 showed also the high value of the superequilibrium effect at corresponding to dissociation threshold of oxygen. Thus, dissociation of oxygen by collisions with Xe in the front of a wave may have a considerably higher rate than total dissociation behind the wave. Received 4 August 1995 / Accepted 25 April 1996     

Multiple Internal Resonance in Suspended Cables under Random In-Plane Loading

The random excitation of a suspended cable with simultaneous internal resonances is considered. The internal resonances can take place among the first in-plane and the first two out-of-plane modes. The external loading is represented by a wide-band random process. The response statistics are estimated using the Fokker-Planck-Kolmogorov (FPK) equation, together with Gaussian and non-Gaussian closures. Monte Carlo simulation is also used for numerical verification. The unimodal in-plane motion exists in regions away from the internal resonance condition. The mixed mode interaction is manifested within a limited range of internal detuning parameters, depending on the excitation power spectrum density and damping ratios. The Gaussian closure scheme failed to predict bounded solutions of mixed mode interaction. The non-Gaussian closure results are in good agreement with the Monte Carlo simulation. The on-off intermittency of the autoparametrically excited modes is observed in the Monte Carlo simulation over a small range of excitation levels. The influence of the cable parameters, such as damping ratios, sag-to-span ratio, internal detuning parameters, and excitation level on the autoparametric interaction, is studied. It is found that the internal detuning and excitation level are the two main parameters which affect the autoparametric interaction among the three modes. Due to the system's nonlinearity, the response of the three modes is strongly non-Gaussian and the coupled modes experience irregular modulation.     

Pore-Level Modeling of Gas and Condensate Flow in Two- and Three-Dimensional Pore Networks: Pore Size Distribution Effects on the Relative Permeability of Gas and Condensate

We present a mechanistic model of retrograde condensation processes in two- and three-dimensional capillary tube networks under gravitational forces. Condensate filling-emptying cycles in pore segments and gas connection–isolation cycles are included. With the pore-level distribution of gas and condensate in hand, we determine their corresponding relative permeabilities. Details of pore space and displacement are subsumed in pore conductances. Solving for the pressure field in each phase, we find a single effective conductance for each phase as a function of condensate saturation. Along with the effective conductance for the saturated network, the relative permeability for each phase is calculated. Our model porous media are two- and three-dimensional regular networks of pore segments with distributed size and square cross-section. With a Monte Carlo sampling we find the optimum network size to avoid size effects and then we investigate the effect of network dimensionality and pore size distribution on the relative permeabilities of gas and condensate.     

FV/MC混合算法求解轴对称钝体后湍流流场

介绍一种有限容积／Monte Carlo结合求解湍流流场的相容的混合算法．有限容积法求解Reynolds平均的动量方程和能量方程，Monte Carlo方法求解模化的脉动速度—频率—标量联合的PDF方程．将该算法发展到无结构网格，探讨了在无结构网格中实现两种方法的耦合，包括颗粒定位，颗粒场和平均场之间数据交换等问题．并以二维轴对称钝体后湍流流场作为算例，比较了计算结果与实验结果．