Measurement and prediction of isothermal vapor–liquid equilibrium of a-pinene+camphene/longifolene+abietic acid+palustric acid+neoabietic acid systems

The vapor–liquid equilibrium(VLE)data of a-pinene+camphene+[abietic acid+palustric acid+neoabietic acid]and a-pinene+longifolene+[abietic acid+palustric acid+neoabietic acid]systems at 313.15 K,333.15 K and 358.15 K were measured by headspace gas chromatography(HSGC).These data was compared with the predictions value by conductor-like screening model for realistic solvation(COSMO-RS).Moreover,the calculated data of COSMO-RS and Non-Random Two-Liquids(NRTL)models showed good agreement with the experimental data.It was found that the three resin acids inhibited the volatility of a-pinene,camphene and longifolene and resulted in the decrease of total pressure.Moreover,HE(HB)contributes the most to the excess enthalpy and the hydrogen bonding interaction is the dominant intermolecular force of a-pinene,camphene and longifolene with the three resin acids.In addition,the geometric structures optimization and binding energy were obtained by the DFT to further illustrate the hydrogen bonding interaction and the effects of the addition of the three resin acids on the isothermal VLE.

Liquid vaporization under thermodynamic phase non-equilibrium condition at the gas-liquid interface

Liquid vaporization under thermodynamic phase non-equilibrium condition at the gas-liquid interface is investigated over a wide range of fluid state typical of many liquid-fueled energy conversion systems. The validity of the phase-equilibrium assumption commonly used in the existing study of liquid vaporization is examined using molecular dynamics theories. The interfacial mass flow rates on both sides of the liquid surface are compared to the net vaporization rate through an order-of-magnitude analysis.Results indicated that the phase-equilibrium assumption holds valid at relatively high pressures and low temperatures,and for droplets with relatively large initial diameters(for example,larger than 10 μm for vaporizing oxygen droplets in gaseous hydrogen in the pressure range from 10 atm to the oxygen critical state). Droplet vaporization under superheated conditions is also explored using classical binary homogeneous nucleation theory,in conjunction with a real-fluid equation of state. It is found that the bubble nucleation rate is very sensitive to changes in saturation ratio and pressure;it increases by several orders of magnitude when either the saturation ratio or the pressure is slightly increased. The kinetic limit of saturation ratio decreases with increasing pressure,leading to reduced difference between saturation and superheat conditions. As a result,the influence of nonequilibrium conditions on droplet vaporization is lower at a higher pressure.

A Fractional Characteristic Study of Liquid and Vapor Interface in Lennard-Jones Fluids

The molecular dynamic simulation results for the liquid-vapor interface of the pure Lennard-Jones fluid are presented. The thermodynamic properties, the surface tension and the effective thickness of interfa-cial layer are determined. The rough characteristic of the liquid-vapor interface is discussed with fractional Brownian motion theory. Thereupon the fractal dimension d of the liquid-vapor interface is obtained.

Effects of imidazolium-based ionic liquids on the isobaric vapor–liquid equilibria of methanol+dimethyl carbonate azeotropic systems

The separation of methanol(MeOH)and dimethyl carbonate(DMC)is important but difficult due to the formation of an azeotropic mixture.In this work,isobaric vapor–liquid equilibrium(VLE)data for the ternary systems containing different imidazolium–based ionic liquids(ILs),i.e.MeOH+DMC+1-butyl-3-methy-limidazolium bis[(trifluoromethyl)sulfonyl]imide([Bmim][Tf2N]),MeOH+DMC+1-ethyl-3-methyl-imidazolium bis[(trifluoromethyl)sulfonyl]imide([Emim][Tf2N]),and MeOH+DMC+1-ethyl-3-methylimidazolium hexafluorophosphate([Emim][PF6])were measured at 101.3 kPa.The mole fraction of IL was varied from0.05 to 0.20.The experimental data were correlated with the NRTL and Wilson equations,respectively.The results show that imidazolium-based ILs were beneficial to improve the relative volatility of MeOH to DMC,and[Bmim][Tf2 N]showed a much more excellent performance on the activity coefficient of MeOH.The interaction energies of system components were calculated using Gaussian program,and the effects of cation and anion on the separation coefficient of the azeotropic system were discussed.

A Modification of α in SRK Equation of State and Vapor-Liquid Equilibria Prediction

Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state, the factor a in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by original and modified SRK equation of state combined with MHV1 mixing rule and UNIFAC model, respectively. For 1447 saturated pressure points of 37 substance including alkanes; organics containing chlorine, fluorine, and oxygen; inorganic gases and water, the original SRK equation of state predicted pressure with an average deviation of 2.521% and modified one 1.673%. Binary vapor-liquid equilibria of alcohols containing mixtures and water containing mixtures also indicated that the SRK equation of state with the modified a had a better precision than that with the original one.

Determination of Vapor Pressures for Binary and Ternary Mixtures Containing Ionic Liquid 1-propyl-3-methylimidazolium Bromide

Vapor pressure values of binary systems water ＋ ethanol, water ＋ ionic liquid 1-propyl-3- methylimidazolium bromide （[PMIM] [Br]）, ethanol ＋ [PMIM] [Br] and ternary system water ＋ ethanol ＋ [PMIM] [Br] at different temperatures were measured by using a modified boiling point method in various concentrations of （16.66%, 33.7%）, （17.4%, 33.9%） and （16.5%, 32%） mass percent of ionic liquid, respectively. The experimental vapor pressures of solvent were well correlated by the Antoine-type equation, and the overall average absolute deviation （AAD） was found to be 0.39%. The experimental results for mixtures containing ionic liquid indicate that the vapor pressure of the solvents can be decreased noticeably to different extent due to the affinity difference between ionic liquid and solvent, which is similar to the salt effect of common inorganic salts. As a result, ionic liquid may find industrial applications in extractive distillations for the system with a low separation factor or even for an azeotropic mixture.

Calculation of H_2O-NH_3-CO_2 Vapor Liquid Equilibria at High Concentration Conditions

A vapor liquid equilibrium model and its related interactive energy parameters based on UNIQUAC model for the H2O-NH3-CO2 system without solid phase at the conditions of temperature from 30℃ to 90℃, pressure from 0.1 MPa to 0.4 MPa, and the maximum NH3 mass fraction up to 0.4 are provided. This model agrees with experimental data well (average relative error < 1%) and is useful for analysis of industrial urea production.

Prediction of Vapor-Liquid Equilibrium Data from C—H Band Shift of IR Spectra in Some Binary Systems

Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both the ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C-H stretching band of IR spectra over the whole concentration. Investigated mixtures in- clude water/2-propanol, water/N, N-dimethylformamide （DMF）, water/methanol, water/ethanol, water/1, 4-dioxane, and water/dimethylsulfoxide （DMSO） systems. Simultaneous correlations of C--H frequency shift and VLE data are made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one ot the intinite chlution activity coefficients.

Experimental results for the vapor-liquid equilibria of 0(formaldehyde+1,3,5-trioxane+methanol+salt+water)systems and comparison with predictions

The salt effect on the vaporliquid phase equilibrium(VLE)of solvent mixtures is of significant interest in the industrial production of 1,3,5trioxane.Experimental data for the VLE of quinary systems(formaldehyde+1,3,5trioxane+methanol+salt+water)and their ternary subsystems(formaldehyde+salt+water),(1,3,5trioxane+salt+water),and(methanol+salt+water)were systematic measured under atmospheric pressure.The salts considered included KBr,NaNO_(3),and CaCl_(2).The extended UNIFAC model was used to describe the VLE of the saltcontaining reactive mixtures.The model parameters were determined from the experimental VLE data of ternary systems or obtained from the literature,and then were used to predict the VLE of systems(1,3,5trioxane+KBr+water),(methanol+KBr+water),(formaldehyde+KBr+water),and(formaldehyde+1,3,5trioxane+methanol+salt+water)with salt=KBr,NaNO_(3),and CaCl_(2).The predicted results showed good agreements with the measured results.Furthermore,the model was used to uncover the salt effect on the VLE of these multisolvent reactive systems.

Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium of Three Binary Systems Containing Chlorobenzene at 50.00 and 101.33 kPa

Isobaric vapor-liquid equilibrium(VLE) data for three binary systems, chlorobenzene + N,N-dimethylformamide, chlorobenzene + furfural, and chlorobenzene + benzaldehyde, were measured at 50.00 and 101.33 kPa using a modified Rose-Williams still. Gas chromatography was used to analyze the compositions of the samples and no azeotropic behavior was found. All of the measured VLE values were checked by the semi-empirical method proposed by Herington and the point-to-point Van Ness test method modified by Fredenslund. The experimental data were correlated by using the Wilson, the non-random two-liquid and universal quasi-chemical activity coefficient models. The corresponding parameters for the three models were obtained.

Isobaric vapor-liquid equilibrium for methyldichlorosilane- dimethyldichlorosilane-benzene system

The elucidation of vapor-liquid equilibrium (VLE) of the halogenated silane was necessary for the production of silicon derivatives, especially for methylvinyldichlorosilane, due to the lack of the relevant reports. Isobaric VLE for the system methyldichlorosilane-dimethyldichlorosilane-benzene and isobaric VLE of the three binary systems were measured with a new pump-ebulliometer at the pressure of 101.325 kPa. These binary compositions of the equilibrium vapor were calculated according to the Q function of molar excess Gibbs energy by the indirect method and the resulted VLE data agreed well with the thermo-dynamic consistency. Moreover, the experimental data were correlated with the Wilson, NRTL, Margules and van Laar equations by means of the least-squares fit, the acquired optimal interaction parameters were fitted to experimental vapor-liquid equilibrium data for binary systems. The binary parameters of Wilson equation were also used to calculate the bubble point temperature and the vapor phase composition for the ternary mixtures without any additional adjustment. The predicted vapor-liquid equilibrium for the ternary system was in a good agreement with the experimental results. The VLE of binary and multilateral systems provided essential theory for the production of the halogenated silane.

Salt-Containing Extractive Distillation of 1-Propanol/Water System 1.Prediction of Salt Effect on Vapor Liquid Equilibrium

This paper has studied the vapor-liquid equilibrium （VLE） for the salt-containing extractive distillation of the 1-propanol/water system. Binary VLE data were measured for the systems of 1-propanol （1）/KAc （4）, ethanediol （3）/KAc （4）, and 1-propanol （1）/ethanediol （3）, with the VLE data correlated with the NRTL model in order to obtain the model parameters of these binary systems. The binary VLE data cited in technical literature were correlated to obtain the model parameters for other binary systems. VLE data of ternary and quaternary systems predicted by the NRTI.： model agreed well with the literature data. The influence of KAc, ethanediol, and the KAc/ethanediol mixture on volatility between 1-propanol and water was investigated respectively. Test results showed that the above-mentioned materials （KAc, ethanediol） and their mixture （KAc and ethanediol） have different influence on the volatility. When x3=0.5, and x4=0.05, the azeotropic point can be elimi- nated. The NRTL model method of salt-containing VLE is simple and effective for the prediction of the system＇s VLE data.

VAPOR-LIQUID EQUILIBRIA FOR MIXTURES OF TOLUENE AND POLYSTYRENE WITH DIFFERENT MOLECULAR WEIGHTS

An experimental system for measuring the VLE of polymer solutions based on the staticvapor-pressure method has been established,VLE data for mixtures of toluene and polystyrene withdifferent molecular weight covering a wide range from 2.98×10~3 to 3.84×10~6 were obtained at 35℃.The reduced pressure p/p°versus weight fraction W plot is found to be independent on the molecularweight of the polymer within the experimental error.Calculated activity coefficients are also independenton the molecular weight.However,for the Flory-Huggins interaction parameter x,not only a strongconcentration dependence is observed,but also the molecular weight of the polymer exerts definiteinfluence.Generally,the parameter x slightly increases as the molecular weight of the polymer decreasesespecially when the molecular weight is low.The dependence of the parameter x on the molecularweight can be neglected when the molecular weight of polymer is greater than 1.00×10~4.

Study on Vapor Liquid Equilibrium for C_9 Separation by Azeotropic Distillation

In this work,ethylene glycol monomethylether(EE) was chosen as an entrainer for the azeotropic distillation of 1,3,5-trimethylbenzene+1-methyl-2-ethylbenzene system to investigate the influence of the entrainer on vapor liquid equilibrium(VLE) of this system.Three sets of binary VLE data in the system consisting of EE + 1,3,5-trimethylbenzene +1-methyl-2-ethylbenzene were measured using the Dvorak-Boublik still.The binary parameters of NRTL model were correlated by using the likelihood method.The ternary VLE data of the system were measured as well and were predicted by using the binary parameters of NRTL model.The test results indicated that the binary data passed the thermodynamic consistency tests,and the difference between the predicted values of ternary VLE and the experimental data reached the research standard for VLE data.Addition of EE had a great influence on the relative volatility between 1,3,5-trimethylbenzene and 1-methl-2-ethyl-benzene:when the ratio of solvent was 4,and the relative volatility between 1,3,5-trimethylbenzene and 1-methyl-2-ethylbenzene increased from 1.0125(without solvent addition) to 1.283.

VAPOR-LIQUID EQUILIBRIA OF N METHYLPYRROLIDONE(1)-WATER(2) BINARY SYSTEM BY AN EBULLIOMETER

1 INTRODUCTIONVapor-liquid equilibrium（VLE）data are useful for the study of solution properties ofnon-ideal mixtures as well as for the design of the separation equipment.Then-methylpyrrolidone（NMP）is a new-type and excellent solvent which can be used in somechemical engineering separation processes.The NMP sucks up moisture so easily that it isnecessary to study the VLE relations of the NMP-H2O binary system,

ISOBARIC VAPOR-LIQUID EQUILIBRIUMS OF OCTANE-ETHYL ACETATE AND OCTANE-ISOPROPYL ACETATE SYSTEMS

The isobaric vapor-liquid equilibrium data of systems of ethyl acetate（1）-n-octane（2） andisopropyl acetate（1）-n-octane（2） were determined at 0.0709 MPa and 0.1013 MPa by using a modifiedRose-Williams still.The experimental data were tested for thermodynamical consistency and correlatedsatisfactorily with p-T equation of state and Wilson equation.

Evidence of vapor shielding effect on heat flux loaded on flowing liquid lithium limiter in EAST

A lithium(Li)vapour layer was formed around a flowing liquid Li limiter to shield against the plasma incident power and reduce limiter heat flux in the EAST tokamak.The results revealed that after a plasma operation of a few seconds,the layer became clear,which indicated a strong Li emission with a decrease in the limiter surface temperature.This emission resulted in a dense vapour around the limiter,and Li ions moved along the magnetic fleld to form a green shielding layer on the limiter.The plasma heat flux loaded on the limiter,measured by the probe installed on the limiter,was approximately 52%lower than that detected by a fast-reciprocating probe at the same radial position without the limiter in EAST.Additionally,approximately 42%of the parallel heat flux was dissipated directly with the enhanced Li radiation in the discharge with the liquid metal infused trenches(LIMIT)limiter.This observation revealed that the Li vapour layer exhibited an excellent shielding effect to liquid Li on plasma heat flux,which is a possible beneflt of liquid-plasma-facing components in future fusion devices.

ASYMMETRIC SLOSH WAVE EXCITATION IN A LIQUID-VAPOR INTERFACE UNDER MICROGRAVITY

The dynamical behavior of fluids affected by the asymmetric gravity jitter oscillations, in particular, the effect of surface tension on partially-filled rotating fluids in a Dewar tank imposed by time-dependent directions of background reduced gravity accelerations is investigated. Results show that the greater the components of background reduced gravity in radial and circumferential directions, the greater will be the tendency toward increasing amplitude and degrees of asymmetry of the liquid-vapor interface profiles.

Substrate elastic deformation due to vertical component of liquid-vapor interfacial tension

Young＇s equation is a fundamental equation in capillarity and wetting, which reflects the balance of the horizontal components of the three interracial tensions with the contact angle （CA）. However, it does not consider the vertical component of the liquid-vapor interracial tension （VCLVIT）. It is now well understood that the VCLVIT causes the elastic deformation of the solid substrate, which plays a significant role in the fabrication of the microfluidic devices because of the wide use of the soft materials. In this paper, the theoretical, experimental, and numerical aspects of the problem are reviewed. The effects of the VCLVIT-induced surface deformation on the wetting and spreading, the deflection of the microcantilever, and the elasto.capillarity and electro- elasto.capillarity are discussed. Besides a brief review on the historical development and the recent advances, some suggestions on the future research are also provided. Key words