熔盐体系表面张力的分子关联模型

将Ｒｅｉｓ提出的硬球表面张力模型用于计算纯熔盐和混合熔盐体系的表面张力将硬球直径视为温度的函数，对２３个纯熔盐体系的表面张力进行了关联，得到相应的分子参数，表面张力的关联总体平均偏差为０４８％应用ｖａｎｄｅｒＷａａｌｓ理论－１混合规则，将Ｒｅｉｓ的表面张力模型推广到混合熔盐体系，对２７个二元熔盐混合体系的表面张力进行了预测和关联，总体平均偏差分别为３３８％和１０４％，其结果能满足工业应用的需要     

三元体系液液界面张力与溶解度的关联

本文采用界面相模型,推导出一个关联界面张力与溶解度数据的方程.经24个三元体系的检验,方程给出了满意的结果.通过引入部分互溶对的界面张力与互溶度数据所得到的修正方程可作更好的关联     

1atm下异佛尔酮-水、异丙叉丙酮-水两组二元体系汽液平衡数据的推算

采用二种方法: 1.由不同温度下的液液互溶度数据; 2.由共沸条件下的液液互溶度及共沸数据 推算了水-异佛尔酮、水-异丙又丙酮二组部分互溶二元体系汽液平衡数据。 其中方法2是笔者多年工作经验的总结,曾对近20组二元部分互溶系的汽液平衡文献数据进行验证计算,发现绝大部分验算结果与文献实测结果符合良好,故认为该法不失为一种推算和关联二元部分互溶体系汽液平衡数据的实用和简便的方法。     

用密度泛函理论研究二元体系的液液界面张力

应用密度泛函理论和统计缔合流体理论建立了二元液液界面的状态方程 ,通过纯流体汽液平衡时的压力数据和液相密度数据回归了非极性流体和极性流体的链节参数 .将界面分层 ,使用已建立的状态方程和回归的纯流体链节参数 ,根据界面各微层达到相平衡时化学势相等的原则计算了液液界面层的厚度和液液界面中的密度分布 ,预测了 16个水 -有机溶剂二元体系的液液界面张力 .计算结果与实验值符合情况良好 .     

由液液平衡数据预测部分互溶物系的汽液平衡

本文用浊点滴定法测定了部分互溶二元体系正丁醇-水和异丁醇-水在恒沸温变以下的液液平衡数据,由该实验数据求取了NRTL常数,用求得的二元常数预测了正丁醇-异丁醇-水三元体系的汽液平衡数据。计算值与文献实验值符合良好,可由沸点以下的二元液液平衡数据预测部分互溶物系的汽液平衡关系。     

非理想二元混合表面活性剂体系的表面张力方程Ⅱ

非理想二元混合表面活性剂体系混合吸附单层的组成随体相组成的变化可通过单点参数法确定。这使得能够根据构成二元混合体系的单一表面活性剂有γ－ｌｏｇＣ关系和混合体系的一个表面张力数据,应用所建立的表面张力方程预测不同体相组成和浓度的非理想二元混合体系的表面张力。     

甲酸-水-甲酸丁酯体系的等压汽液相平衡研究

用改进的Rose釜测定了101.33 kPa下甲酸-水、甲酸-甲酸丁酯、甲酸-水-甲酸丁酯(互溶区内)的等压汽液相平衡数据。考虑了甲酸在汽相中的缔合效应和非理想性,用Hayden-O’connell关联式修正了汽相的非理想性,用NRTL模型对甲酸-水和甲酸-甲酸丁酯体系的汽液平衡数据进行了关联,得到了相应的模型参数。利用得到的二元体系模型参数,结合部分三元体系汽液平衡数据,关联得到水-甲酸丁酯体系的模型参数。由关联得到的3对二元NRTL模型参数预测三元体系汽液平衡数据,温度平均偏差为1.20℃,甲酸的汽相平均偏差为0.0152,甲酸丁酯的汽相平均偏差为0.0184,实验值与预测值基本吻合。     

1atm下异佛尔酮—水,异丙叉丙酮—水两组二元体系汽液平衡数据的推算

有杉二种方法：１．由不同温度下的液液互溶度数据；２．由共沸条件下的液液互溶度及其沸数据推算了水－异佛尔不酮、水－惜内叉一组部分互溶二元体系汽液平衡数据。其中方法２是笔者多年工作经验的总结，曾对近２０组二元部分互溶系的汽液平衡文献数据进行验证计算，发现绝大验算结果与文献实测结果符合良好，故认为该法不失为一种推算和关联二元部分互溶体系汽液平衡数据的实用和简单的方法。     

甜菜碱表面活性剂及其聚表二元体系性能评价

使用界面张力仪上的旋转滴法,测定了甜菜碱表面活性剂及其无碱二元复合体系对大庆一厂和六厂油水界面张力的影响因素,研究了甜菜碱表面活性剂浓度对动态界面张力的影响。同时还对该甜菜碱表面活性剂二元体系的乳化性能及稳定性能进行了评价。实验结果显示:该甜菜碱表面活性剂可在较宽浓度范围内(0.025%~0.03%)与一厂、六厂原油形成10~(-3)m N·m~(-1)数量级超低界面张力。浓度高的甜菜碱表面活性剂,虽然有利于降低瞬时界面张力,但不利于保持界面张力。甜菜碱表面活性剂二元体系具有较好的粘度稳定性和界面张力稳定性,二元体系粘度保留率大于90%。     

二元部分互溶体系汽液平衡的研究

在前文中提出了一个新的液相活度系数关联式,并用该式关联了二元互溶体系的汽液平衡。本文对部分互溶体系的一些特点和产生相分裂的条件进行了讨论。并用新方程对由各种非电解质组成的二元部分互溶体系进行关联,得到了满意的结果。关联精度和三参数的NRTL方程相当,优于wilson方程,并且新方程能满足产生相分裂的必要条件。     

非电解质液体混合物表面张力的统计热力学模型

运用Davis模型导出一个统计热力学的表面张力模型．对22个双组分体系的表面张力作了推算和关联,总平均相对偏差分别为5.45％和1.95％.并利用关联双组分体系得到的参数值,直接推测了三组分体系的表面张力,平均相对偏差为2.21％.结果令人满意.表明该方法简单、精确,便于工程应用．     

由PR状态方程计算液体混合物表面张力

在界面化学位的基础上，定义了组分的界面逸度系数，推导出一个新的液体混合物表面张力的表达式，同时用Ｐｅｎｇ－Ｒｏｂｉｎｓｏｎ状态方程计算液体混合物体相和表面相组分的逸度系数，从而实现了由状态方程计算液体混合物表面张力。文中用这一新模型计算了５６个二元体系的表面张力，平均相对偏差为３．３８％，说明该方法是可行的。     

一个基于NRTL方程的液体混合物表面张力模型

A new equation for predicting surface tension is proposed based on the thermodynamic definition of surface tension and the expression of the Gibbs free energy of the system. Using the NRTL equation to represent the excess Gibbs free energy, a two-parameter surface tension equation is derived. The feasibility of the new equation has been tested in terms of 124 binary and 16 multicomponent systems(13-ternary and 3-quaternary) with absolute relative deviations of 0.59~0 and 1.55~0 respectively. This model is also predictive for the temperature dependence of surface tension of liquid mixtures. It is shown that, with good accuracy, this equation is simple and reliable for practical use.     

Calculation of surface tensions for liquid mixtures using the SWCF-VR EOS and Butler-type method

A generalized surface tension model for various types of liquid mixtures by coupling the equation of state for square-well chain fluids with variable ranges and Butler type method was presented. Transferable molecular parameters fitted from experimental pVT of pure fluids were used. The reliability of this model were tested with liquid mixtures including 87 conventional fluid mixtures, 20 aqueous alcohol-amine solutions, 12 ionic liquid solutions, 7 polymer solutions, and 4 liquid alloys. The overall average absolute deviations in correlations with one parameter for all binary mixtures, in predictions for all conventional binary mixtures except aqueous solutions and for all ternary mixtures are 1.94%, 1.82%, and 2.69%, respectively. The potential application of the model in simultaneously describing the phase equilibrium and surface tensions was partially verified. The results demonstrate that this model has an overall robustness and reliability in calculations of surface tensions for various liquid mixtures.     

Surface Tension Estimation of Binary Mixtures of Organic Compounds Using Artificial Neural Networks

The surface tension of binary mixtures at different temperatures and compositions is required in much scientific and technological research. Therefore, having an exact correlation between surface tension and easily accessible physical properties is essential. In this work, the sensitivity of the surface tension to some physical properties was studied by using artificial neural networks (ANNs) to find the most effective ones. Furthermore, ANNs were used to estimate the surface tension of binary systems as a function of the most effective physical properties including critical pressure, reduced temperature, acentric factor, and molar density. The experimental data, collected for training and verifying the networks, include various materials such as alkanes, alkenes, aromatics, alcohols, organic acids, as well as chlorine, iodine, sulfur, nitrogen, and fluorine-containing compounds in the composition ranges from 0 to 100 mole percent, and temperatures between 116 K and 393 K. The average absolute relative deviation (AARD) of the most accurate network, obtained for all 2038 data points regarding 83 binary mixtures, is 1.75%.     

A new model for the surface tension of binary and ternary liquid mixtures based on Peng- Robinson equation of state

Based on the surface chemical potential and Peng-Robinson equation of state,a newmodel is proposed to predict and correlate the surface tensions of binary and ternary liquid mix-tures.Using this method,the surface tensions of 73 binary and 8 ternary systems are calculatedwith average relative deviations 1.35% and 3.52% respectively.The proposed model is simple, re-liable and accurate.     

On the prediction of surface tension for multicomponent mixtures

A prediction method for surface tension of real mixtures was developed based on the Davis theory, and tested with the molecular dynamics simulation results of Mecke et al. (1997) for surface tension of the Lennard‐Jones fluid. An effective Lennard‐Jones potential was introduced for correlating surface tension for real pure liquids and binary liquid mixtures, leading to prediction of surface tension of multicomponent systems, including aqueous mixtures. The overall average absolute percentage deviations (AAPD) obtained in the correlated results for 62 pure liquids, 91 non‐aqueous and 11 aqueous binaries are 0.66, 0.80, and 1.75, respectively. In the prediction of the surface tension for 9 ternary and 4 quaternary systems, using the molecular parameters of pure liquids and the adjustable binary parameters, the overall AAPDs are 1.75 and 1.03, respectively.     

借助变阱宽方阱链流体状态方程模拟非电解质体系表面张力和粘度(英文)

The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.     

表面张力对传质过程的影响

表面张力对传质过程的影响主要是影响传质界面积,当物系为正物系时,对板式塔有较小较稳定的汽泡,对填料塔和湿壁塔,有较稳定的液膜,结果使二者均有较大的传质界面积,传质效果较好;负物系的情况相反。当液体混合物的平均表面张力较小时,也有利于形成较小较稳定的汽泡,从而有利于传质。表面张力对传质过程的影响机理相当复杂,这方面的研究工作有待深入开展。     

混合物表面张力的新方程

本文基于Ｈａｎｓｅｎ展开式，采用表面相表面积分率，建立了一个液体混合物表面张力的新方程。对于７１个二元体系，关联和计算的总平均相对误差为０．４８０％；对于６个三元体系，预测的总平均相对误差为２．２８％。新方程形式简单，参数少，精度较高，并且具有预测能力。