平均球近似法预测电解质水溶液的固—液平衡

以溶解反应平衡常数为电解质水溶液的固－液平衡判据。应用改进的平均球近 法，使用由单一电解质水溶液活度系数数据得到的参数，在不同任何混合参数的情况下，对七个混合电解质水溶液体系在２９８．１５ｋ时的固－液平衡进行预测，其结果能很好地与溶解度的实验值相符合。     

挥发性弱电解质水溶液汽液平衡计算

以Ｃｈｅｎ（１９８６）提出的扩展ＮＲＴＬ活度系数模型为基础,重新应用实验数据将原模型中的固定交互作用参数关联为温度的函数,以ＮＨ３－Ｈ２Ｓ－Ｈ２Ｏ体系的汽液平衡计算为例,将本文修正的模型与其它通用的Ｐｉｔｚｅｒ模型及Ｃｈｅｎ模型的计算结果相比较。本文得到的结果与实验值最为相符     

电解质混合溶剂体系汽液平衡的推算

本文建立了由混合溶剂中电解质活度系数推算汽液平衡的数值计算方法。在电解质活度系数测定的盐浓度范围内,NaBr(1)-H_2O(2)-MeOH(3)和HCl(1)-H_2O(2)-MeOH(3)两体系在101.3 kPa下的汽液平衡计算结果与文献值平均绝对偏差分别为:汽相摩尔分率,平衡温度和,对前一体系还能正确地推测出交叉的盐效应规律。     

连续浊点法快速测定含盐水溶液的固液平衡

建立一套连续浊点法快速测定含盐水溶液固液平衡的实验方法和装置，不同温度下二元和三元体系的实验值与文献值比较，表明该方法所测数据是可靠的。在此基础上测定了２９８．１５～３２３．１５Ｋ下三元体系ＮＨ４ＣｌＫＣｌＨ２Ｏ的固液平衡数据，并同作者开发的电解质溶液相平衡软件包ＰＨＥＥＳ的预测值作了比较，得到了较为满意的结果     

应用分子聚集理论计算有机物水溶液双元体系的液液平衡

本文应用由分子聚集理论改进的van der waals方程和van Laar混合规则对六个有机物水溶液体系的液液平衡进行了计算,取得了满意的结果。这表明,本方法是值得进一步开发和推广应用。     

挥发性强电解质混合溶剂体系的汽液平衡研究

本文报导了101.3 kPa下HCL+H_2O+CH_3aOH体系汽液平衡的实测结果。在对H_2O+CH_3OH混合溶剂中HCI的电离情况进行研讨,并求得HCl在该混合溶剂中亨利常数的基础上,从二元体系的性质出发,用笔者扩展的Pitzer(1980年)模型预测了HCl+H_2O+CH_3OH体系的汽液平衡,得到与实测数据极为一致的结果。     

新的局部组成混合规则模型和汽液平衡数据的关联计算

从径向分布函数理论导出一个简单而合理的分子配位数计算公式,进而建立了新的局部组成模型,该模型简化后与改进的Peng-Robinson状态方程结合,在各类非理想体系汽液平衡计算中取得了满意的结果.     

从混合溶剂中电解质活度系数推算汽液平衡

建立了由混合溶剂中电解质活度系数推算汽液平衡的数值计算方法。在电解质活度系数测定的盐浓度范围内,NaBr(1)-H_2O(2)-MeOH(3)和HCI(1)-H_2O(2)-MeOH(3)两体系在101.3kPa下的汽液平衡计算结果与文献值平均绝对偏差分别为:汽相摩尔分率|Dy_3|=0.025,平衡温度DT=0.40K和Dy_3=0.020,DT=0.76K,对前一体系还能正确地推测出交叉的盐效应规律。     

硝基氯苯体系固液平衡研究

利用差式扫描量热法,测定了硝基氯苯同分异构体二元及三元固液平衡 t—x关系。同时,利用表征分子特征的拓扑指标θ关联溶液的过量自由能 G~E。计算了二元及三元硝基氟苯同分异构体的固液平衡。G~E 方程式为G~E=RT 式中 k_(ij)为通过实验确定的两分子相互作用参数。上式计算值与实验值的偏差小于2K。     

电解质非水溶液导热系数计算方法

根据电解质非水溶液导热系数的变化规律 ,发展了一种根据电解质非水溶液的组成计算其导热系数的普适方法。对不同温度下 191个电解质非水溶液体系的计算结果表明 ,导热系数计算值与文献值的一致性令人满意 ,平均误差 3.4 8%。     

用ISE法快速测定混合电解质溶液的活度系数

对ＮａＣｌ－ＫＣｌ－Ｈ２Ｏ溶液利用离子选择性电极（ＩＳＥ）的连续滴加法，快速测定出响应ＮａＣｌ的电动势，获得与用文献报道的活度系数计算出的电动势相一致的结果。由此电动势出发可以关联得到混合电解质溶液活度系数的Ｐｉｔｚｅｒ方程的参数，计算ＫＣｌ的活度系数同陆小华－Ｍａｕｒｅｒ提出的电解质溶液模型的预测结果也完全一致，表明本文方法可用于混合电解质溶液活度系数的快速测定。     

初级的强电解质水溶液热力学模型

提出了1个电解质溶液的热力学模型,它由两步组成,即电解质与溶剂的混合和电解质在溶剂中的电离.据此,导得了电解质离子的平均活度系数和溶剂（水）的渗透系数方程.并能方便地推广到混合电解质溶液.用实验数据广泛检验结果表明,这个模型能很好地适用于较高浓度下的强电解质溶液.     

新的电解质混合溶剂体系的Gibbs过量自由能模型

提出一个新的电解质混合溶剂体系的Ｇｉｂｂｓ过量自由能模型。该模型由三项组成：ＤｅｂｙｅＨｕｃｋｅｌ项、溶剂－溶剂相互作用项和溶剂化作用项。其表达形式简洁、满足热力学一致性，仅从２９８．１５Ｋ下关联的二元参数就可以预测单一电解质混合溶剂体系的热力学性质，用以熔融盐为标准态扩展到混合溶剂体系的Ｄｅｂｙｅ－Ｈｕｃｋｅｌ项，能正确地预测此类体系的盐析效应。     

平均球近似法计算电解质活度系数的研究(Ⅰ)——单一电解质水溶液

对平均球近似(MSA)的原始模型进行研究,提出了阳离子有效直径随溶液中离子浓度变化的关系式.用原MSA模型、Pitzer模型和本文改进后的模型对85个单一电解质水溶液(最大浓度达34.12mol/kg)的离子平均活度系数进行了计算和比较,结果表明作者改进的模型精度最高.另外,用298.15K回归出的参数预测其它温度下的离子平均活度系数,与Bromley、Meissner、Chen和Pitzer4个模型进行比较,本文模型的计算结果最好,说明本文的模型参数与温度关系较小.     

GENERALIZED CORRESPONDING STATES CORRELATIONS FOR THE VISCOSITY AND THERMAL CONDUCTIVITY OF AQUEOUS ELECTROLYTE SOLUTIONS

Corresponding slates correlations have been developed for the viscosity and thermal conductivity of aqueous electrolyte solutions for a wide range of temperatures, pressures, and concentrations. For viscosity, the Vogel-Tamann-Fulcher equation has been generalized using the corresponding states theory, and extended to include pressure effects. Twenty six aqueous electrolyte solutions, including both monovalent and multivalent electrolytes, have been studied and a generalized correlation has been developed for viscosity, with four system dependent parameters. For thermal conductivity, a similar corresponding states based correlation has been developed. Twenty three aqueous electrolyte solutions were studied for thermal conductivity and a generalized equation was obtained that requires only two System dependent parameters. With both correlations, the maximum error is usually within 10% of the experimental values, with the average errors being much less. Additional systems can also be included in both correlations in a straightforward manner.     

强电解质稀溶液电导的预测方程

引言 电解质溶液的电导研究一直是人们关注的课题.长期以来,科学工作者做了大量研究工作.     

A COMPARISON OF DISTRIBUTION FUNCTIONS FOR CALCULATION OF PHASE EQUILIBRIA OF CONTINUOUS MIXTURES

Ill-defined fluid mixtures containing too many components for complete analysis are often described in terms of continuous distribution functions of boiling point or molecular weight or in terms of pseudo-components. For many systems, the choice of the pseudo-component method or one of the standard distribution-function approaches can significantly affect the calculated phase equilibria.

For three sample systems, a comparison is made of the pseudo-component method, the method of moments, the Lobatto quadrature method, and our new method in which cubic-spline approximations are incorporated. The accuracy of representation of the composition distribution function is compared, as well as the calculated phase equilibria and CPU times.

Although each method has advantages for specific types of systems and calculations, the cubic-spline method was found, in general, to be most accurate and adaptive, with only slight increases in computation times     

A COMPARISON OF DISTRIBUTION FUNCTIONS FOR CALCULATION OF PHASE EQUILIBRIA OF CONTINUOUS MIXTURES

Ill-defined fluid mixtures containing too many components for complete analysis are often described in terms of continuous distribution functions of boiling point or molecular weight or in terms of pseudo-components. For many systems, the choice of the pseudo-component method or one of the standard distribution-function approaches can significantly affect the calculated phase equilibria.

For three sample systems, a comparison is made of the pseudo-component method, the method of moments, the Lobatto quadrature method, and our new method in which cubic-spline approximations are incorporated. The accuracy of representation of the composition distribution function is compared, as well as the calculated phase equilibria and CPU times.

Although each method has advantages for specific types of systems and calculations, the cubic-spline method was found, in general, to be most accurate and adaptive, with only slight increases in computation times     

分离有机物水溶液的渗透汽化与汽化渗透膜

该文基于４５篇最新文献，较详细地论述了渗透汽化膜与汽化渗透膜的有机物水溶液分离性能及其影响因素，包括高聚物特征，料液浓度，温度，古游侧压力，膜厚度和操作时间，指出用多数高聚物膜进行渗透汽化操作可以有效地分离多数有机醇，酮，酸，酯，酰胺以及二Ｅ烷，乙腈，吡啶，二甲亚砜和四氢呋喃水溶液；而以壳聚糖及其衍生物膜进行汽化渗透操作则具有更高的分离系数。该文还简要介绍了渗透汽化膜的新应用。为渗透汽化与汽化渗透