A refined evaluation of the gas-phase water-dimerization equilibrium constant within non-rigid BJH- and MCY-type potentials

The flexible BJH- and flexible or semiflexible MCY-type water-water potentials (4 potential modifications in each nonrigid family, i.e., altogether 12 potentials) are used for evaluation of the gas-phase water-dimerization equilibrium constants. The potential-energy term is adjusted for best reproduction of the available experimental equilibrium constants. An independent test using the experimental steam second-virial coefficient isotopic difference shows that the adjustment also improves the computational evaluation of the difference. A set of dimerization equilibrium constants is suggested over a wide temperature interval (based on the BJH/G, MCY-B, or MCYB potential modifications). The best reproduction of the experimental equilibrium constants (in conjunction with good performance for the second-virial isotopic difference) is produced by the BJH/G potential. The results are applicable to various problems such as the formation of water clusters in large-scale natural and artificial water jets (e.g., hydrogen-oxygen rocket motors, orbital capsule water dumps, water ejection from a comet nucleus) or in atmospheric chemistry.     

ZigBee网络路径均衡算法在供水系统的仿真研究

研究城市供水系统的高效路径均衡算法。供水系统根据供水请求调控供水路径,在早晚城市用水高峰期供水请求突增,待均衡的供水路径任务骤增加大了均衡计算量,传统方法只选用较少的高层节点作为均衡节点,高层节点因超额的工作量不能承担起均衡任务的突增,造成网络数据传输路径均衡的效率较低。为了解决这一难题,提出基于开销能量的供水系统ZigBee网络路径均衡算法。通过建立供水系统各节点能量消耗代价开销模型,在模型中根据开销能量将路径均衡控制的任务分派到网络的各个节点中共同分担完成路径均衡的任务,避免了只利用少数高层节点均衡而带来的均衡效率不高的问题。仿真结果表明,改进方法能够高效完成供水系统路径的均衡控制,取得了满意的结果。     

基于交通信息和配电网全成本电价的电动汽车充电负荷调度方法

电动汽车的集中充电行为会在一定程度造成交通拥堵,为解决这一问题,综合考虑交通信息和电网信息,基于边际定价理论得到配电网节点边际电价和交通阻塞成本,构建电动汽车充电的全成本电价模型。在此基础上,提出一种考虑交通信息和配电网全成本电价的电动汽车充电负荷调度方法。通过仿真算例验证,该方法在满足电动汽车充电需求的同时可以有效缓解交通拥堵。     

证券市场中庄家与散户间的确定性微分博弈

基于确定性微分博弈理论,建立了一种庄家与散户间的连续时间的博弈模型.首先将所有散户作为一个整体与庄家进行博弈,以博弈双方持股率的动态关系作为动态系统方程,并以此构建了一个确定性微分博弈模型; 然后运用开环纳什均衡和反馈纳什均衡分别求解出满足共态函数的常微分方程组和满足价值函数的Issacs - Bellman偏微分方程,以此得到庄家与散户博弈的开环纳什均衡策略和反馈纳什均衡策略.该结果可为金融监管部门监管证券市场和证券市场投资者买卖股票提供参考.     

EQUILIBRIA OF SYSTEM MoO_3-MoO_2-H_2O-H_2 AND PHASE DIAGRAM FOR SYSTEM Mo-O BETWEEN 400 AND 700℃

使用自行设计的受控气氛热重装置研究了MoO_3—MoO_2-H_2O—H_2系平衡.在P_(H_2O)/P_(H_2)从0.412至0.609,温度从400至534℃范围内直接测定了反应:MoO_3+H_2=MoO_2+H_2O(g)的平衡常数与温度间的关系为1gK_p=0.702-739.8/T获得298.15K下MoO_3标准生成焓及绝对熵分别为:-845.75kJmole~(-1)及78.1 J·K~(-1)mole~(-1) 实验表明,存在于MoO_2-MoO_3系中的一些Magneli相在本研究条件下不能作为热力学稳定相而存在.并绘制了400-700℃下Mo-O系相图.     

氰化氢在终冷塔中气液两相之间转移的研究

分析了煤气中氰化氢的形成,论述了氰化氢在煤气和其冷凝液中的平衡机理,讨论了影响氰化氢相平衡的因素,研究了直接终冷、间接终冷时煤气中氰化氢的转移情况。     

GRAPHICAL PROCEDURE FOR REACTIVE DISTILLATION SYSTEMS

In this paper we analyze a ternary reactive distillation system, where an equilibrium chemical reaction occurs in the liquid phase. By using a set of transformed variables proposed by Barbosa el al. (1988b) and well known graphical procedures for non-reactive systems; the minimum reflux ratio, minimum number of equilibrium stages, mass and energy balances for a reactive column and flash can be easily obtained. The procedures developed in this paper are applied to ISOBUTYLENE-METHANOL-MTBE system.

The main objective in developing this model is to obtain, as much as possible, rigorous information for the analysis of one reactive distillation column in a Process Simulator with capability of handling this type of new operation.     

OPTIMIZATION OF PRESSURE SWING ADSORPTION EQUIPMENT PART II OPTIMIZATION OF TWO BED OXYGEN GENERATORS

Local equilibrium model described in Part I is used to stimulate both, the steady state operation conditions and transient regime after the start of PSA equipment. The effect of axial dispersion, adsorption isotherm nonlinearity and high pressure level is simulated. On the basis of numerical analysis, the operation of a classical two-bed oxygen generator is compared with two configurations having pressure equalizing step. The optimization strategy of the given PSA equipment has been proposed and the procedure is demonstrated on an example. The scaling-up condition for PSA equipments which can be described by local equilibrium model has been proposed on the basis of the theoretical analysis.     

PF/PU低温固化体系的研究

将端羟基封端和端羧基封端的聚氨酯(PU)预聚物分别与酚醛树脂(PF)复合，加入对甲苯磺酸(PTSA)，在低温下固化，通过对固化体系的参数进行研究，选择的固化条件为：PTSA用量在3．5％，固化温度为80℃。通过扫描电镜对两个体系的复合物进行表征，对两种不同的增韧机理进行讨论。     

悬浮床催化精馏合成支链烷基苯的模拟

Suspension catalytic distillation (SCD) has been developed recently as an innovative technology in catalytic distillation. In this paper, a brief introduction to SCD is given and an equilibrium stage (EQ) model is developed to simulate this new process for synthesis of linear alkylbenzene (LAB) from benzene and 1-dodecene.Since non-ideality of this reaction system is not strong, EQ model developed could be applied to it successfully.Simulation results agree well with experimental data, and indicate some characteristics of SCD process as an advanced technology for the production of LAB: 100% conversion of olefins, low temperature (90-100℃) and low benzene/olefin mole ratio.