二元混合物环丁酚和对二甲苯、乙苯在温度范围为303.15—353.15K下的密度、黏度及其相关性质

Densities and viscosities of the binary systems of sulfolane ＋ ethylbenzene, sulfolane ＋ p-xylene have been experimentally determined in temperature interval 303.15—353.15 K and at atmospheric pressure for the whole composition range. The excess molar volumes and viscosity deviations were computed. The computed quantities have been fitted to Redlich-Kister equation. Excess molar volumes and viscosity deviation show a systematic change with increasing temperature. Two mixtures exhibit negative excess volumes with a minimum which occurs approximately at χ = 0.5. The effect of the size, shape and interaction of components on excess molar volumes and viscosity deviations is discussed.     

超临界CO2中异丁醇的相平衡研究

Vapor-liquid phase equilibrium data including composition, densities, molar volume and equilibrium constant of isobutanol in supercritical carbon dioxide from 313.2 K to 353.2 K were measured in a variable-volume visual cell. The properties of critical point were obtained by extrapolation. The results showed that critical temperature, critical pressure and critical compressibility factor of CO2-isobutanol system decreased with the increase of critical CO2 content. The phase equilibrium model was established by Peng-Robinson equation of state and van der Waals-2 mixing regulation, and model parameters were determined by optimization calculation of nonlinear least square method. The correlation between calculated values and the experimental data showed good agreement.     

Statistical mechanics and artificial intelligence to model the thermodynamic properties of pure and mixture of ionic liquids

In this paper, the volumetric properties of pure and mixture of ionic liquids are predicted using the developed statistical mechanical equation of state in different temperatures, pressures and mole fractions. The temperature dependent parameters of the equation of state have been calculated using corresponding state correlation based on only the density at 298.15 K as scaling constants. The obtained mean of deviations of modified equation of state for density of al pure ionic liquids for 1662 data points was 0.25%. In addition, the performance of the arti-ficial neural network (ANN) with principle component analysis (PCA) based on back propagation training with 28 neurons in hidden layer for predicting of behavior of binary mixtures of ionic liquids was investigated. The AADs of a col ection of 568 data points for al binary systems using the EOS and the ANN at various temperatures and mole fractions are 1.03%and 0.68%, respectively. Moreover, the excess molar volume of all binary mixtures is predicted using obtained densities of EOS and ANN, and the results show that these properties have good agree-ment with literature.     

立方型+缔合状态方程模拟离子液体的pVT性质和汽液平衡(英文)

Combining Peng-Robinson (PR) equation of state (EoS) with an association model derived from shield-sticky method (SSM) by Liu et al., a new cubic-plus-association (CPA) EoS is proposed to describe the ther-modynamic properties of pure ionic liquids (ILs) and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall aver-age deviation is 0.22%. The model parameter b for homologous ILs shows a good linear relationship with their mo-lecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria (VLE) for binary mixtures of ILs + non-associating solvents and + associating solvents are obtained with the overall average deviation of vapor pressure 2.91% and 7.01%, respectively. In addition, VLE results for ILs + non-associating mixtures from CPA, lattice-fluid (LF) and square-well chain fluids with variable range (SWCF-VR) EoSs are compared.     

308.15 K、313.15 K和318.15K下4-氨基丁酸在硫酸沙丁胺醇水溶液中的体积和黏度研究

Density () and viscosity (η) measurements were carried out for 4-aminobutyric acid in 0.0041, 0.0125 and 0.0207 mol•L－1 aqueous salbutamol sulphate at 308.15, 313.15 and 318.15 K. The measured values of density and viscosity were used to estimate some important parameters such as apparent molar volume , limiting apparent molar volume , transfer volume , hydration number , second derivative of infinite dilution of partial molar volume with temperature , viscosity B-coefficients, variation of B with temperature dB/dT, free energy of activation per mole of solvent and solute , activation entropy and activation enthalpy of the amino acids. These parameters have been interpreted in terms of solute-solute and solute-solvent interactions and structure making/breaking ability of solutes in the given solution.     

Densities and surface tensions of ionic liquids/sulfuric acid binary mixtures

The densities and surface tensions of [Bmim][TFO]/H_2SO_4, [Hmim][TFO]/H_2SO_4 and [Omim][TFO]/H_2SO_4 binary mixtures were measured by pycnometer and Wilhelmy plate method respectively. The results show that densities and surface tensions of the mixtures decreased monotonously with increasing temperatures and increasing ionic liquid(IL) molar fraction. IL with longer alkyl side-chain length brings a lower density and a smaller surface tension to the ILs/H_2SO_4 binary mixtures. The densities and surface tensions of the mixtures are fitted well by Jouyban–Acree(JAM) model and LWW model respectively. Redlich-Kister(R–K) equation and modified Redlich-Kister(R–K) equation describe the excess molar volumes and excess surface tensions of the mixtures well respectively. Adding a small amount of ILs(xILb 0.1) into sulfuric acid brings an obvious decrease to the density and the surface tension. The results imply that the densities and surface tensions of ILs/H_2SO_4 binary mixtures can be modulated by changing the IL dosage or tailoring the IL structure.     

水杨酸苯酯与C4醇固液平衡测定与关联

In an equilibrium vessel,the solid-liquid equilibria(SLE) for three binary mixtures of phenyl salicylate with 1-butanol,2-butanol,and 2-methyl-1-propanol,respectively,have been measured from 283.15 K to the melting temperature of the solute using a method in which an excess amount of solute was equilibrated with the alcohol solution.The liquid concentrations of the investigated phenyl salicylate in the saturated solution were analyzed by UV spectrometry.Activity coefficients for phenyl salicylate have been calculated by means of the Wilson,NRTL,and UNIQUAC equations and with them were correlated solubility data that were compared with the experimental ones.The best correlation of the solubility data has been obtained by the Wilson equation by which the average root-mean-square deviation of temperature for the three systems is 1.03 K.     

用变阱宽方阱链流体状态方程模拟离子液体相行为

An equation of state (EOS) for square-well chain fluids with variable range (SWCF-VR) developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature (pVT) and phase equilibrium of pure ionic liquids (ILs) and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The molecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular pa-rameters of homologous substances, subsequently pVT and vapor-liquid equilibria vapor-liquid equilibria (VLE) can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one tem-perature-independent binary interaction parameter.     

1,2-丙二醇水溶液在不同温度下的超额摩尔体积黏度和热容

Experimental densities, viscosities and heat capacities at different temperatures were presented over the entire mole fraction range for the binary mixture of 1,2-propanediol and water. Density values were used in the determination of excess molar volumes, VE. At the same time, the excess viscosity was investigated. The values of VE and E were fitted to the Redlich-Kister equation. Good agreement was observed. The excess volumes are negative over the entire range of composition. They show an U-shaped-concentration dependence and decrease in absolute values with increase of temperature. Values of E are negative over the entire range of the composition, and has a trend very similar to that of VE . The analysis shows that at any temperature the specific heat of mixture is a linear function of the composition as x1 > 20%. All the extended lines intersect at one point. An empirical equation is obtained to calculate the specific heat to mixture at any composition and temperature in the experimental range.     

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.     

二元混合物环丁酚和对二甲苯、乙苯在温度范围为303.15-353.15K下的密度、黏度及其相关性质

Densities and viscosities of the binary systems of sulfolane ethylbenzene, sulfolane p-xylene have been experimentally determined in temperature interval 303.15-353.15 K and at atmospheric pressure for the whole composition range. The excess molar volumes and viscosity deviations were computed. The computed quantities have been fitted to Redlich-Kister equation. Excess molar volumes and viscosity deviation show a systematic change with increasing temperature. Two mixtures exhibit negative excess volumes with a minimum which occurs approximately at x = 0.5. The effect of the size, shape and interaction of components on excess molar volumes and viscosity deviations is discussed.     

Orientation effect on sign and magnitude of excess thermodynamic functions of non electrolyte solutions at different temperatures (303.15 K, 308.15 K,and 313.15K)

Experimental values of the density and viscosity have been measured for binary mixtures of N-ethylaniline with isomeric butanols (1-butanol, 2-butanol, 2-methyl-1-propanol and 2-methyl-2-propanol) at 303.15, 308.15 and 313.15 K over the entire mole fraction range. These data, the excess molar volumes, and deviation viscosity for the binary systems at the above-mentioned temperatures were calculated and fitted to Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. The excess molar volumes, deviation viscosity and excess Gibbs energy of activation of viscous flow have been analyzed in terms of acid-base interactions, hydrogen bond, and dipole-dipole interaction between unlike molecules. The results obtained for dynamic viscosity of binary mixtures were used to test the semi-empirical relations of Grunberg-Nissan, Katti-Chaudhri, and Hind et al. equations.     

Viscometric and FTIR studies of molecular interactions in 2-propanol+hydrocarbons mixtures at 298.15 and 308.15 K

The deviation in viscosity was coupled with respective excess molar volume data to study the molecular interaction in binary mixtures with one associated component. This approach was applied to the experimentally measured viscosity and excess molar volume data of the 2-propanol+hydrocarbons at 298.15 K and 308.15 K. It was suggested that depolymerization power of aromatic hydrocarbon toward 2-propanol as well as strength of intermolecular interactions (electron-donor-acceptor type) between monomer of 2-propanol and aromatics depend on π-electron density of the aromatic hydrocarbon. These interactions were further confirmed by FTIR spectroscopy. The viscosity of these binary mixtures was best predicted by Gruenberg-Nissan correlation among the four correlations applied.     

Densities and viscosities for ionic liquids [BMIM][BF4] and [BMIM][Cl] and their binary mixtures at various temperatures and atmospheric pressure

The density and viscosity of 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF₄] and 1-butyl-3-methylimidazolium chloride [BMIM][Cl] and their binary mixtures within the temperatures from 303.15 K to 323.15 K and at ambient pressure were determined in this work. The temperature dependences of density and viscosity were satisfactorily described with the linear model and the Vogel-Tammann-Fulcher type equation, respectively. The molar volume and viscosity of binary IL mixtures were predicted through ideal mixing rules showing that almost null deviations for IL mixtures were observed and their mixing was remarkably close to linear ideal behavior in the molar volumes, while comparatively large errors in viscosity occurred. Additionally, the molar volume of the investigated pure ILs and their mixtures could well be predicted by a predictive model presented by Valderrama et al. (Fluid Phase Equilib., 275 (2009) 145).     

Density, viscosity, and surface tension of water+ethanol mixtures from 293 to 323K

Density, viscosity, and surface tension of liquids are important physicochemical properties which affect mass and heat transfer in solutions. The density, viscosity, and surface tension of binary mixture of water+ethanol at 293, 298, 303, 308, 313, 318, and 323 K are reported and compared with the available literature data. The findings of these comparisons show how the measured data are reproducible from different laboratories. The molar volume of water+ ethanol mixtures are also calculated using measured density values. The Jouyban-Acree model was used for mathematical correlation of the data. The relative deviation (RD) was used as an error criterion and the RD values for correlation of density, viscosity, surface tension and molar volume data at investigated temperatures are 0.1±0.1%, 10.4±9.5%, 4.2±3.6%, and 0.3±0.3%, respectively. The corresponding RDs for the predicted properties after training using the experimental data at 298 K are 0.2±0.2%, 14.1±15.8%, 5.4±4.6% and 0.4±0.3%, respectively, for density, viscosity, surface tension, and molar volume data. This study shows that the Jouyban-Acree model can correlate/predict physicochemical properties of the mixtures of solvents at different temperatures with acceptable error in calculation.     

N-苯基马来酰亚胺在有机溶剂中密度和黏度测定及关联

N-苯基马来酰亚胺作为优良的改性单体,广泛应用于树脂的耐热改性、高分子材料的交联剂等,然而N-苯基马来酰亚胺及其二元混合体系的密度与黏度却鲜有报道。利用密度瓶和乌氏黏度计分别测定了100 kPa下N-苯基马来酰亚胺在乙醇、丙酮、乙酸乙酯3个体系293.15—318.15 K等6个温度时的密度与黏度。同时根据测定的密度数据计算出了N-苯基马来酰亚胺在3个体系中的表观摩尔体积。结果表明:测定范围内,溶液的密度与黏度均随着温度的升高而降低,随着N-苯基马来酰亚胺质量摩尔浓度的增大而增大;而表观摩尔体积随着温度的升高而升高,随着N-苯基马来酰亚胺质量摩尔浓度的增大而降低。用VTF方程对密度、黏度数据进行关联,分别拟合得到2个关联方程,标准偏差小于1.6%。     

3-庚3-庚酮+乙酸乙酯、3-庚酮+乙酸丁酯、3-庚酮+TBP、MIBK+TBP二元体系的过量摩尔体积和黏度

常压下测定了3-庚酮+乙酸乙酯、3-庚酮+乙酸丁酯、3-庚酮+磷酸三丁酯（TBP）、4-甲基-2-戊酮（MIBK）+磷酸三丁酯4个二元体系在293.15～318.15 K下的密度和黏度值,计算了二元体系的过量摩尔体积V^E和过量黏度Δη,并用Redlich-Kister方程对V^E和Δη进行了关联。混合溶剂的黏度数据采用Orrick-Erbar(O-E)基团贡献法进行了关联和预测,增加了O-E方法中的(-O)₃-P=O 基团贡献值。结果表明,O-E方法可根据现有的纯溶剂的黏度数据预测得到混合溶剂的黏度,平均误差小于15%。     

超临界CO2-共溶剂二元体系溶质的偏摩尔体积及分子间的相互作用

在313.5～323.5 K、7～14 MPa范围内测定了CO₂及CO₂-甲醇、CO₂-乙醇、CO₂-正丁醛、CO₂-异丁醛二元混合流体的表观密度,讨论了压力、第2组分的种类和加入量对CO₂表观密度的影响,在此基础上计算了溶质的偏摩尔体积,讨论了温度、压力和第2组分的性质对溶质偏摩尔体积的影响规律.实验发现：CO₂-共溶剂二元体系在临界点附近溶质的偏摩尔体积出现较大的负值,反映了CO₂与共溶剂之间存在较强的相互作用,使CO₂分子发生聚集现象;CO₂分子聚集程度与共溶剂分子大小及空间结构有关,分子越大或越规则,CO₂分子聚集程度越强.     

Correlative and predictive models of viscosity study on Propiophenone with isomeric xylenes binary mixtures at <Emphasis Type="Italic">T</Emphasis>=(303.15 to 318.15) K

Densities and viscosities of binary mixtures of Propiophenone with o-xylene, m-xylene and p-xylene were measured over the entire composition range at T=(303.15 to 318.15) K and at 0.1Mpa atmospheric pressure. Experimental data used to calculate excess molar volume (V^E), deviation of viscosity (Δη), excess Gibb’s free energy (G^*E) activation of viscous flow for each binary system and the results were fitted to the Redlich-Kister polynomial equation to obtain the fitting coefficients and standard deviations. Viscosity values used to compute single adjustable interaction parameters from Grunberg and Nissan, Katti and Chaudhri, Hind et al., Tamara Kurata and Frenkel relations. Deviations in thermodynamic properties of the binary mixtures were discussed in terms of their molecular interactions between the components. Viscosity data correlated with the McAllister’s three body/four body models, Heric, Auslander, and Jouyban-Acree relations having two and three adjustable parameters for the studied binary mixtures. Viscosity relations like Kendall-Monroe, Bingham, Arrhenius, and Kendall were used to calculate and compare the standard deviation percentage, (σ %), between the experimental and calculated viscosity data. The studied systems showed specific intermolecular interactions and the percentage deviations were in good agreement with the experimental values. Obtained results are useful in various chemical and industrial processes.