Al/Fe2O3反应合成材料热力学

运用CALPHAD技术，基于多组元多相复杂平衡体系的吉布斯自由能最小化原理，用大型集成数据库F^*A^*C^*T系统，考察了铝和氧化铁经典反应体系的热力学规律。针对材料的反应合成技术，计算了化学计量铝和氧化铁体系以及各种产物中物种的相变情况；分析了原料初始温度、配料比和SiO2含量对绝热温度和平衡组成的影响。     

风管摩擦阻力的直接计算方法

提出用高精度的反映密度、黏度和温度关系的经验公式和Colebrook公式计算风管摩擦阻力系数的方法。分析和算例表明，用该方法计算，计算结果比采用常用工程设计方法更为准确，为应用计算机进行风道设计提供了直接、简便的方法。     

储层压力与天然气分布关系——以鄂北塔巴庙地区上古生界储层为例

通过分析塔巴庙地区储层压力的分布特征，建立了研究区泥岩压实曲线，并对影响和控制该区储层压力的主要因素和机理进行了探讨，对“欠压实”剩余压力、生气增压、抬升引起的降压进行了定量计算。分析结果表明，晚三叠-早白垩世末“欠压实”作用和晚侏罗-早白垩世末烃源岩大量生烃作用使塔巴庙地区上古生界形成异常高压；晚白垩系构造抬升降压，使得现今储层为正常-低异常压力。同时证实了“欠压实”对天然气有压力封盖作用，天然气都分布在最大“欠压实”幅度以下的储层当中。烃源岩生气高峰为晚侏罗-早白垩世末，但天然气大规模运移是在晚白垩世，方向以沿过剩压力梯度降低较快的方向（太原-山西组至下石盒子组）垂向运移，通道主要为裂缝，运移的动力主要为异常高压。由于储层致密，聚集成藏能量有限，造成天然气充注不足、气水分异不好、含气饱和度低。     

Research on Marine Boiler＇s Pressurized Combustion and Heat Transfer

The effect of pressure on combustion and heat transfer is analyzed. The research is based on the basic combustion and heat transfer theorem. A correction for the heat calculation method for pressurized furnace is made on the basis of the normal pressure case. The correction takes the effect of pressurizing into account. The results show that the correction is reasonable and the method is applicable to combustion and heat transfer of the marine supercharged boiler.     

Calculation of the Thermodynamic Properties of Diatomic Substances Based on the Ornstein-Zernike Equation

The new method of calculation of intermolecular distribution functions is used to calculate various thermodynamic properties of diatomic substances (oxygen, nitrogen, ethane). Good agreement is demonstrated between the calculation and experimental data.     

铁液洁净度对凝固热力学参数的影响

为了给高洁净钢连铸细晶技术提供相关理论依据，在高温钼丝炉中通过对电解纯铁加金属铝和硅脱氧，获得不同铁液洁净度的试样。利用差热分析法测定了试样在相同冷却速度下的过冷度。利用凝固过程热力学理论研究了铁液洁净度与过冷度、凝固热力学驱动力、形核功和临界晶核半径等的关系。结果表明：随着铁液洁净度的提高，铁液凝固时的过冷度增大，形核所需的凝固热力学驱动力变大，非均质形核功和临界晶核半径减小。     

Emission of trace toxic metals during pulverized fuel combustion of Czech coals

A study of the trace elements emission (As, Se, Cd, Co, Cr, Cu, Zn, Hg, Tl, Pb, Ni, Sn, Sb, V, Mn and Fe) from pulverized coal combustion has been made at six heating and power stations situated in the Czech Republic. The amount of chlorine in coal has considerable influence on volatilization of some elements such as Zn, Cu, Pb, Hg and Tl, which is explained by the formation of thermodynamically stable compounds of these elements with chlorine. Generally, the affinities for Cl follows the order Tl > Cu > Zn > Pb > Co > Mn > Sn > Hg. The experimental data indicates enrichment of some of the trace toxic elements in the emissions (Cu, Zn, As, Se, Cd, Sn, Sb, Hg and Pb) and good agreement was obtained by thermodynamic equilibrium calculations with a few exceptions. In the case of Fe, Mn, Co, Cr and Sn calculated values are overestimated in the bottom ash and there are zero predicted amounts of these elements in the fly ash. In comparison, the results from experiments show up to 80% of these elements retained in fly ash. This implies that there exist additional steps leading to the enrichment by Fe, Mn, Co, Cr and Sn of small particles. Such mechanisms could include the ejection during devolatilization of small inorganic particles from the coal of bottom ash particles, or disintegration of the char containing these metals to small particles of fly ash. On the other hand, there are slightly overestimated or similar values of relative enrichment factors for As, V, Cu, Cd, Sb, Tl and Pb in the fly ashes and zero predicted values for bottom ashes. Our experimental results show about 5% or less of these elements are retained in bottom ashes, so they probably remain in the bottom ash inside unburned parts of coal. Copyright © 2003 John Wiley & Sons, Ltd.     

油气集输系统新增产能建设拓扑优化方法研究

在油气集输新增产能建设中,为充分利用已建管网系统的处理能力,达到降低投资,提高经济效益的目的,进行了油气集输新增产能建设布局优化方法的研究。针对新建集输管网为树状结构的情况,建立了油气集输系统新增产能建设拓扑优化的数学模型,讨论了计算复杂性问题。根据模型的特点,将问题分解为拓扑级优化和几何级优化两个子问题,并通过它们之间的迭代进行求解。实例计算表明,所建立的数学模型正确,求解方法可行,能用于工程实际设计。     

EXPERIMENTAL STUDIES AND NUMERICAL CALCULATION ON TURBULENT BOUNDARY LAYER OF WATER FLOW ALONG CURVED SURFACE

This paper will introduce experimental studies and numerical calculation onturbulent boundary layer of water flow along curved surface in our country in recent years.Onthe basis of the experimental studies,the effects of curvature and roughness on velocitydistribution and pressure distribution and the change of turbulent flow boundary layer onoverflow bucket concave surface is discussed.We proposed the empirical formula of velocity,pressure and the change of turbulent flow boundary layer on outlet bucket concave.According tothe momentum principle,we have deduced the momentum integral equation full water depthboundary layer and using the element as control unit inside the boundary layer on concavesurface of bucket.Combining with continuity equation,we have computed the boundary layerdevelopment on the bucket of a spillway.Compared with the field experimental data,thecalculation results are available.Under polar coordinates,a mathematical model for simulatingtime-averaged flow characteristics in concave surface of bucket is established.The turbulent flowfield on concave surface of bucket is calculated by SIMPLE method and this mathematicalmodel.The flow velocity field,pressure field,distribution of turbulent kinetic energy,distribution of turbulent energy dissipating rate and distribution of shear stress are available.Thecalculation value is consistent with measured test data.     

Cumulant calculations of thermodynamic quantities for the Hubbard and the emery model

The calculations of the first paper suggesting phase separation in the Hubbard model [2] are performed under modern computer facilties for the one and three-band Hubbard model. High-temperature approximations for specific heat and static correlation functions are obtained. The latter show, at these high temperatures, no tendency to phase separate in the same way as in the cited paper because our spin parallel nearest-neighbor charge correlation function is negative for all doping values. The spin antiparallel correlation function has positive and negative values for different doping regimes.Extension of this work to higher levels of iterations and to other correlation functions is in progress.