正己烷-甲基环戊烷-邻苯二甲酸二丁酯三元体系汽液平衡研究

测量了不同压力下正己烷-甲基环戊烷-邻苯二甲酸二丁酯三元体系等压汽液平衡数据，确定了该体系Wilson方程模型参数，并以Wilson方程为汽液平衡模型，采用微机模拟计算了以邻苯二甲酸二丁酯为溶剂，萃取精馏分离正己烷-甲基环戊烷混合物的分离结果，结果表明，萃取精馏分离该混合物效果良好。     

盐-水-乙醇-乙二醇体系汽液平衡的预测

电解质溶液汽液平衡的预测和计算是是热力学的一个重要研究领域,是加盐萃取精馏模拟计算的重要基础,精 确的推算电解质溶液的汽液平衡数据有着十分重要的理论和实际意义。本文改进了计算电解质溶液汽液平衡的LI- QUAC模型,用计算水-乙醇-乙二醇体系汽液平衡更为精确的NRTL模型代替lIQUAC模型中的UNIFAC模型来计 算溶剂分子间相互作用对超额Gibbs自由能的影响,并据此推算出两种盐-水-乙醇-乙二醇体系的汽液平衡数据, 与本文实验数据及文献数据比较,结果比较满意。该模型对电解质溶液汽液平衡的进一步研究以及加盐萃取精馏的工 程计算均具有一定的指导意义。     

裂解C_9与溶剂之间汽液平衡数据的测定及溶剂筛选

裂解C9是乙烯装置的副产,产量很大,对其研究具有重要的经济意义.实验测定裂解C9汽液平衡数据,计算各组分之间相对挥发度,以确定精馏过程分离条件;测定裂解C9与溶剂之间汽液平衡数据,计算各主要组分之间的相对挥发度,通过气质联用色谱法分析实验结果,对比分析不同溶剂对相对挥发度的影响,筛选出甘油作为裂解C9萃取精馏实验的最佳溶剂.本文研究为进一步放大实验、裂解C9的精馏预处理及萃取精馏提取C9馏分提供依据.     

基于UNIFAC模型的碳酸二甲酯-甲醇-恒沸剂三元体系汽液平衡数据的推算

运用Visual Basic计算机语言，用UNIFAC方程模拟推算了碳酸二甲酯－甲醇－恒沸剂（分别为正己烷、环己烷、正庚烷、正辛烷）三元体系在常压下的汽液平衡。为采用恒沸精馏法分离DMC与甲醇共沸体系提供了汽液平衡数据。     

测定甲醇与异丙醇的汽液平衡数据及精馏的研究

甲醇和异丙醇是重要的化工原料和溶剂,作为溶剂使用会产生大量甲醇和异丙醇混合液,本文研究甲醇-异丙醇的分离问题;测定甲醇-异丙醇的汽液平衡数据,采用最小方差法关联汽液平衡数据,并确定相对挥发度方程式;以甲醇-水为标准体系,由精馏结果标定精馏塔的等板高度;在相同条件下,研究不同塔高对甲醇-异丙醇精馏分离的影响,确定塔效率.本文为进一步放大实验提供依据.     

常压下丙醛-水-甘油体系汽液平衡测定与关联

采用单循环汽液平衡釜测定了常压条件下丙醛-水的二元以及丙醛-水-甘油三元汽液平衡数据。运用MATLAB中求解非线性最小二乘法问题的函数Lsqnonli,结合丙醛-水的二元汽液平衡实验据,迭代出了Margules、Vanlaar、Wilson和UNIQAC四个方程的二元模型参数。通过计算值和实验值的比较,Wilson方程的相对误差均小于5%,故选择Wilson方程为本体系的适合模型。将测定的丙醛-水-甘油三元汽液平衡数据与模型参数带入Wilson方程求得的三元汽液平衡数据相比较,相对误差均小于5%,由此验证了本文Wilson模型参数的可靠性。本文的测定结果和计算结果为丙醛-水-甘油体系的萃取精馏模拟选择了合适的模型,关联得到的Wilson模型参数,为萃取精馏过程的模拟计算打下基础,同时也为丙醛和水混合液的有效分离提供了一定基础数据。     

通用立方型状态方程汽液平衡计算工具软件包──VLE－TOLPAK

通用立方型状态方程汽液平衡计算工具软件包──ＶＬＥ－ＴＯＬＰＡＫ楚纪正，左有祥，郭天民（石油大学化工系北京１０００８３）基于立方型状态方程的汽液平衡计算是诸多大型应用软件的基础和核心，如化工与炼油中精馏分离计算、油气田开发工程中地层流体动态的数值模拟...     

二乙氧基甲烷-乙醇-水体系萃取精馏溶剂的筛选

由于二乙氧基甲烷-乙醇-水体系形成共沸物且共沸点接近,不能用普通精馏的方法分离,本文提出采用萃取精馏分离法。从二乙氧基甲烷、乙醇、水与溶剂分子之间存在的诱导力、静电力、色散力及氢键出发,分析和对比十二类溶剂,提出选用多元醇、水、胺类、酮作为萃取精馏溶剂;通过汽液平衡釜测定有所选溶剂存在时,各组分问的相对挥发度,确定乙二醇为分离二乙氧基甲烷一乙醇的良好溶剂;而乙二醇加盐作为复合溶剂,可提高二乙氧基甲烷-乙醇的分离效果。     

乙酸乙酯-乙腈萃取精馏的模拟优化

应用化工模拟软件Aspen Plus对乙酸乙酪-乙腈最低共沸物系的连续萃取精馏过程进行了模拟与优化。通过绘制拟二元汽液平衡相图,筛选出合适的萃取剂为二甲基亚砜(DMsO)。确定了双塔连续萃取精馏的工艺流程,并利用灵敏度分析考察了萃取精馏塔的全塔理论板数、原料进料位置、萃取剂进料位置、回流比、溶剂比(萃取剂对原料的体积比)等因素对分离效果的影响。确定的最佳工艺方案为:全塔理论板数为33,原料和萃取剂分别在第26块和第5块理论板进料,回流比为1.5,溶剂比为3。模拟与优化结果为乙酸乙酯.乙腈萃取精馏分离过程的设计和操作提供了依据。     

碳酸二甲酯-甲醇-糠醛三元体系汽液平衡数据的推算与关联

测定了DMC-CH_3OH,DMC-C_5H_4O_2,CH_3OH-C_5H_4O_2二元体系汽液平衡实验数据,利用二元体系的汽液平衡数据,运用C语言用NRTL状态方程模拟推算了碳酸二甲酯-甲醇-糠醛三元体系在常压下的汽液平衡,并对数据进行了关联。为建立精馏分离碳酸二甲酯-甲醇二元共沸体系的数学模型提供了必要的VLE数据。     

On the supply function equilibrium and its applications in electricity markets

The paper deals with the Supply Function Equilibrium (SFE) as a model of competition in electricity markets. It introduces theoretical advancement through relaxing traditional assumptions of continuity of supply functions and provides a foundation for efficient computational algorithms. Two special examples are considered. One demonstrates that continuous equilibrium could be impossible while an infinite set of discontinuous equilibria exists. Another example proves the convergence to a linear equilibrium through learning in linear supply system. A possibility of a similar convergence for piece-wise linear system is being discussed.     

氧化还原平衡智能处理系统(OREICS)的开发

以Visual Basic为工具,结合数据库技术,开发了氧化还原平衡智能处理系统(OREICS)。该软件针对氧化还原平衡涉及的有关问题,提供了标准电极电势查询、电极电势计算、氧化剂／还原剂强弱判断、电池反应方向判断、计算反应平衡常数,以及元素电势图的自动生成和歧化反应判断等功能。软件界面友好,使用方便,可作为处理氧化还原平衡问题的强有力的工具。     

甲醇-环己酮二元体系汽液平衡的测定与关联

用改进的Ellis汽液平衡釜测定甲醇-环己酮二元体系常压汽液平衡数据,并校验实验数据的Herington热力学一致性,结果表明实验数据满足热力学一致性要求.以汽相组成的误差平方和作为目标函数,分别用Willson和NRTL方程关联实验数据,得两热力学方程的模型参数.汽相组成的模型计算值与实验值的平均相对偏差分别为0.56%和1.10%.     

二甲醚-甲醇二元体系汽液平衡的测定与计算

在0～1.45MPa压力范围内,测定了293．15K、323．15K、353．15K、373．15K温度下二甲醚-甲醇二元体系的汽液相平衡数据。利用气相色谱检测汽液相组成,对测定数据进行了热力学计算,采用PR方程计算气相各组分的逸度系数,利用NRTL和UNIFAC法计算液相活度系数。两种不同模型计算值与实验值符合良好,汽液相平衡数据经Herington面积法校验满足热力学一致性检验。     

Strong mediated equilibrium

Stability against potential deviations by sets of agents is a most desired property in the design and analysis of multi-agent systems. However, unfortunately, this property is typically not satisfied. In game-theoretic terms, a strong equilibrium, which is a strategy profile immune to deviations by coalition, rarely exists. This paper suggests the use of mediators in order to enrich the set of situations where we can obtain stability against deviations by coalitions. A mediator is defined to be a reliable entity, which can ask the agents for the right to play on their behalf, and is guaranteed to behave in a pre-specified way based on messages received from the agents. However, a mediator cannot enforce behavior; that is, agents can play in the game directly, without the mediator's help. A mediator generates a new game for the players, the mediated game. We prove some general results about mediators, and mainly concentrate on the notion of strong mediated equilibrium, which is just a strong equilibrium at the mediated game. We show that desired behaviors, which are stable against deviations by coalitions, can be obtained using mediators in several classes of settings.     

Characterization of equilibrium sets for bilinear systems with feedback control

Simple analytical methods for the characterization of the equilibrium sets of bilinear systems with linear feedback control are developed based on elimination theory. It is shown that the number of equilibrium points can be determined as a function of the feedback gains, without having to solve for the locations of the equilibrium points. Necessary and sufficient conditions for the origin to be the unique equilibrium point are also presented. These results provide the basis for computing the equilibrium points via a straightforward procedure, which eliminates the convergence, stability and uncertainty problems that can occur when iterative root finding techniques are used. Several illustrative examples are included. The methods developed in this paper can also be used to characterize the equilibrium sets of other classes of nonlinear systems such as quadratic systems.     

Expert system for selection of phase equilibrium models

An expert system—ESPEM (Expert System for selection of Phase Equilibrium Models)—to assist in selecting suitable vapour-liquid equilibrium thermodynamic models according to given operating conditions, system characteristics, and computation requirements for thermodynamic properties etc. is presented. ESPEM is written in Prolog, and is developed as a frame-based expert system. A menu-driven user-interface is included to make it easy for novice engineers to use and understand. Capability of numerical calculations for phase equilibrium problems is also included to provide for subsequent applications, such as process design and simulation. Three typical vapour-liquid phase equilibrium systems are examined to demonstrate the capability and the reliability of ESPEM in suggesting phase equilibrium thermodynamic models and in performing supplementary numerical calculations.     

计算液液平衡的基团溶解度参数模型研究

为得到一种简便可靠的计算液液平衡的新方法,利用Delphi语言构建了液液平衡数据库,以此为基础对基团溶解度参数模型(GSP模型)进行了研究。采用的基团溶解度参数具有4维,分别表征基团间4种主要的相互作用。通过建立液液平衡算法,并采用非线性优化方法SIMPLEX作为优化方法,对548个三元体系液液平衡数据进行回归得到模型参数的具体数值。对于这些体系,GSP模型计算的平均R．M．S．为0．07446(mol),计算总体摩尔浓度分数的绝对误差为0．05305(mol)。采用改进的UNIFAC模型进行了同样的关联计算以进行比较。结果表明,对应所收集的平衡数据,GSP模型可以达到与改进的UNIFAC模型同样的关联计算精度,而所需要的参数更少,参数值也更容易得到。     

EQQYAC: Program for determining geothermal reservoir chemical equilibrium

The computer program EQQYAC calculates the equilibrium distribution of inorganic aqueous ion species in geothermal reservoirs, using the chemical composition of discharged fluids and in situ physical measurements. The program, written in FORTRAN IV for a VAX/11-780 computer system, is suited to handle data from wells that produce both steam and liquid phase water. The program has been successfully used with data of wells from Los Azufres geothermal field.EQQYAC estimates the reservoir steam fraction, (excess steam), that could be present in the total discharge fluid. In order to carry out this calculation, the Fischer-Tropsch reaction is assumed to be at equilibrium at reservoir conditions. The deviation of the concentrations of the participant ions from the expected values at equilibrium, are considered due to the excess steam. This program also may be used to study chemical changes in the deep fluid as a consequence of reservoir boiling.