逐步增加定数截尾下Weibull 分布恒加试验的Bayes估计

基于逐步增加定数截尾样本,对累积失效模型(简称CE模型)下,Weibull分布恒定应力加速寿命试验(简称恒加试验)进行了Bayes统计分析,利用Gibbs抽样给出了该模型的Bayes估计。最后,通过模拟例子表明Bayes估计有效而实用。     

EXCESS GIBBS ENERGY FOR THE BINARY MIXTURES OF NITROBENZENE WITH SOME HYDROCARBONS AT 94.95 KPA

Bubble point temperatures at 94.95 kPa, over the entire composition range, are measured for the binary mixtures of nitrobenzene with: cyclohexane, n-hexane, n-heptane, n-decane, and o-, m-, and p-xylenes, using a Swietoslawski-type ebulliometer. Liquid phase composition versus bubble point temperature measurements are well represented by the Wilson model. Computed values of the excess Gibbs energy are presented and discussed.     

SOLID ADSORBENTS IN BATCH FERMENTATIONS

The addition of a non-specific solid adsorbent reduces the liquid-phase substrate concentration at the start of a batch fermentation. Then, as product is generated, it displaces the substrate from the adsorbent, reducing liquid-phase product concentration. So both substrate and product inhibition can be reduced and the productivity of the fermentation increased. A mathematical model for this process is developed including a modified Langmuir bi-solute adsorption isotherm, and both growth- and non-growth-associated product formation. The model agrees well with experimental data on the effect of Linde JXC activated carbon on the fermentation of glucose to ethanol by S. cerevisiae. Only product inhibition is considered and NH₃ is the sole nitrogen source to avoid complications arising from the adsorption of organic nitrogen compounds. Since ethanol is very hydrophilic and high concentrations of activated carbon are apparently toxic to yeast, there is little increase in volumetric productivity for this fermentation, the gains from reduced inhibition being cancelled by the additional reactor volume needed for the carbon. However, a significant increase is predicted for fermentations where the product and/or substrate is more inhibitory and adsorbs more readily.     

Na-feldspar (F) and kaolinite (K) system at high temperature: Resulting phase composition,micro-structural features and mullite-glass Gibbs energy of formation,as a function of F/K ratio and kaolinite crystallinity

The system Na-feldspar (F) and kaolinite (K) was investigated at temperatures of interest in ceramic applications (1200–1280 °C) to study the effects of F/K ratios by weight and crystallinity degree of kaolinite on the final product, micro-structural features and mullite-glass Gibbs energy of formation (ΔG^eff). Mullite and glass are the dominant phases; in general, the higher the temperature, the larger the former. An F/K increase promotes the formation of glass and secondary mullite, appearing along with the primary one. ΔG^eff was modelled by α(T) × (F/K)² + β(T) × F/K + γ(T), α, β and γ being linear functions of temperature whose coefficients were determined by fitting the ΔG^eff-theoretical to the ΔG^eff-obtained from the measured phase compositions. ΔG^eff is less affected by temperature than by F/K, whose increase shifts equilibrium towards glass phases. The ΔG^eff-curves for ordered and disordered kaolinite intersect one another at F/K ～0.5, a ratio close to that used in industrial practice.     

噻吩水热裂解平衡计算及反应过程分析

采用乘子法,结合Gibbs自由能最小的概念,计算注蒸汽热采地层条件下,噻吩水热裂解反应体系的平衡组成.根据实验数据和计算结果分析反应过程,认为噻吩水热裂解过程中发生了水解、热解、加氢脱硫、加氢饱和及水煤气转换等反应.平衡计算结果表明,当水/噻吩摩尔进料比小于4时,提高进料比有利于脱硫,并生成更多气体;提高反应温度、降低反应压力有利于提高气体产量,但不利于脱硫.当水/噻吩摩尔进料比大于4时,噻吩平衡转化率达100%,温度、压力、进料比对平衡组成的影响很小.     

高压下煤对CH4/CO2二元气体吸附等温线的研究

研究了晋城和潞安煤在高压下对纯 CH4,CO2 及其二元混合气体的吸附特性 ,在对混合气体绝对吸附量计算公式推导的基础上 ,对绝对吸附等温线进行了研究 .结果表明 :高压下煤对混合气体的吸附介于纯 CH4和 CO2 之间 ,Gibbs吸附等温线和绝对吸附等温线表现出较大的差异 ;煤对混合气体中 CH4和 CO2 的吸附呈现出不同的吸附特点 ;煤对 CO2 优先吸附 ,并且随着压力的升高 ,煤对 CO2 选择性吸附能力增加 .本研究结果对开展注烟道气提高煤层采收率和煤层埋藏CO2 具有一定的指导作用 .     

Effect of surface curvature and wettability on nucleation of methane hydrate

Natural gas hydrate nucleation is a complex physical and chemical process that is not well understood presently. In this article, an improved thermodynamic model is proposed to analyze the effects of surface curvature and wettability on methane hydrate nucleation for the first time. The results indicate that methane hydrate nucleation is more difficult on hydrophilic curvature surfaces under the same conditions, with a larger critical nucleation radius and required energy barrier than on hydrophobic surfaces. Furthermore, a convex surface is more favorable for forming methane hydrate under the same conditions than a concave surface. The model's results are critical in elucidating the microscopic mechanism of methane hydrate nucleation and providing a theoretical foundation for developing technologies for strengthening and inhibiting hydrate formation.     

用渗透系数推算单电解质二元无机水溶液的方法

本文提出了一种推算单电解质二元无机水溶液(火用)值的方法。其中,根据Pitzer普遍方程所得到的渗透系数公式和Gibbs—Duhem方程,推算出二元无机水溶液的化学值计算式,利用该计算式推导出NaCl、NH_4Cl和NaNo_3三种无机水溶液的化学与浓度的关系式,可方便地计算出不同浓度及溶液的化学,进而计算溶液     

高温固硫矿物3CaO·3A12O3·CaSO4的热力学数据的计算与验证

Calcium sulfoaluminate,3CaO·3Al2O3·CaSO4,has been widely recognized in the realms of high-temperature combustion and cement chemistry.However,the lack of relevant thermodynamic data limits the progress of its research and development.Through comparative calculations using several different approaches,we obtain the thermochemical properties of 3CaO·3Al2O3·CaSO4 in this work,such as its standard formation enthalpy,Gibbs free en- ergy of formation,entropy,and molar heat capacity.With these fundamental data,thermodynamic calculations become possible for reactions involving this mineral.It is found that some reactions proposed in literature to generate this mineral may not proceed thermodynamically.