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S0021961418312369 | In this study the physiochemical and transport properties of 3 propylamine water system were investigated . The densities and refractive indices of aqueous DEAPA solutions were measured at a range of temperatures from 293.15K to 343.15K and at a pressure p 95.1 kPa . The viscosities of the aqueous DEAPA were also measured from T 298.15K to 333.15K . The excess properties of aqueous DEAPA solutions were calculated based on the experimental results . In addition the activation energies and entropies for viscous flow were estimated from the viscosity data . The RedlichKister equation was used to correlate all excess properties . Based on volumetric data DEAPA could not be described as structure breaker or structure maker however the nature of changes of viscosity against concentration suggested the formation of stable complex . | Density viscosity and refractive index of 3 Diethylamino propylamine were reported. Excess properties of the aqueous DEAPA solutions were calculated. Activation energies and entropies for viscous flow were estimated. Viscosity data suggested the possible formation of stable complex. |
S0021961419300692 | This work presents the experimental data on thermophysical properties of aqueous solutions of imidazolium based ionic liquids such as 1 Ethyl 3 Methylimidazolium Ethylsulfate EtSO | Thermophysical data in dilute aqueous region of Imidazolium ILs at different temp. Excess molar volumes V. are positive for EMIM EtSO. while negative for other ILs. Increasing concentration increases ion ion interaction with hydrophobic hydration. Water structure making nature is EMIM Tos EtSO. MeSO. MMIM MeSO |
S0021961419301065 | In the context of a comprehensive campaign for the characterisation of transmutation fuels for next generation nuclear reactors the melting behaviour of mixed uranium americium dioxides has been experimentally studied for the first time by laser heating for Am concentrations up to 70mol . under different types of atmospheres . Extensive post melting material characterisations were then performed by X ray absorption spectroscopy and electron microscopy . The melting temperatures observed for the various compositions follow a markedly different trend depending on the experimental atmosphere . Uranium rich samples melt at temperatures significantly lower when they are laser heated in a strongly oxidizing atmosphere compressed air at MPa compared to the melting points registered for the same compositions in an inert environment . This behaviour has been interpreted on the basis of the strong oxidation of such samples in air leading to lower melting temperatures . Thus the melting temperature trend observed in air is characterized in the purely pseudo binary dioxide plane by an apparent maximum melting temperature around 2850K for 0.3 x AmO | The very high melting temperatures of U Am oxides T 2500K were measured. The effect of the oxidation on the melting behaviour was studied. Extensive post melting characterizations were performed SEM XAS . A CALPHAD thermodynamic modeling of the liquid in the U Am O system was obtained. |
S002196141930182X | The isobaric vaporliquid equilibrium for the binary mixtures of 2Butanol nHeptane and 2Butanol 2 2 4Trimethylpentane at 1.5MPa and 2.0MPa were obtained experimentally using a stainless steel ebulliometer . The experimental data have been verified thermodynamically . The data were fitted by using a polinomial zetas equation to perform the data reduction . The approach was applied using the Perturbed ChainStatistical Associating Fluid Theory and the PengRobinsonStryjekVera equation of state using both quadratic and WongSandler mixing rules . It has been verified that composition of the azeotropic points in both mixtures is modified by increasing the pressure . The trend of the azeotropic data was studied using bibliographic data from each mixture . | The measurement of vapor pressures for 2Butanol nHeptane and 2 2 4Trimethylpentane were carried out. Density and refractive index of the mixtures of 2Butanol nHeptane and 2Butanol 2 2 4Trimethylpentane were measured. VLE data of the systems 2Butanol nHeptane and 2Butanol 2 2 4Trimethylpentane both at 1.5 and 2.0MPa were obtained. Performance of two thermodynamic models the PCSAFT and the PREOS are assessed. The four adjustable parameters in PRSVWSEOS show better agreement than the one adjustable parameter in PCSAFT model. |
S0021961419301855 | Butanols can be incorporated as biofuels in gasoline . As a consequence the thermodynamic behaviour in the blend of the different type of accompanying hydrocarbons should be explored . Being a multicomponent mixture the best testing ground for checking prediction is the generation of the ternary systems made up of combinations of representatives of the indicated hydrocarbons two by two with alcohols . This paper reports the isothermal vapourliquid equilibrium at 313.15K of the two remaining ternaries of an overall comprehensive study involving 1 or 2 butanol . A recognized accurate static technique consisting of an isothermal total pressure cell has been used for the measurements . Data were reduced using Barkers method together with Wilson equation as excess Gibbs energy model enabling the determination of all phase equilibrium properties . Starting from our new data we complete the study by discussing the ternary prediction from four model equations by Wohl Wilson NRTL and UNIQUAC commonly used . Parameters fed by their constituent binaries reported in previous papers conclude that Wilson model provides the best result in both of our ternary systems . | VLE measurements are reported for the ternary 1 butanol or 2 butanol 2 2 4 trimethylpentane 1 hexene mixtures. The investigated temperature is 313K. The experimental data were correlated using Wohl Wilson NRTL UNIQUAC and Wohl equations. A positive shape for. is observed for both systems. |
S002196141930237X | The compressed liquid densities of binary mixtures difluoromethane and 2 3 3 3 tetrafluoroprop 1 ene were measured using a high pressure vibrating tube densimeter over the temperatures from K and pressures up to 100MPa at five different compositions | The liquid densities of R32 R1234yf were studied over temperatures from 283 to 363 K and pressures up to 100MPa. The experimental data were correlated with modified Tait equation. Isothermal compressibility and isobaric thermal expansivity were calculated. |
S0021961419302630 | Ethyl myristate is one of the main components of biodiesels and its thermophysical properties are critical to be supplemented and perfected . In this work the speed of sound and thermal diffusivity of ethyl myristate were measured by the light scattering method . The investigated temperature and pressure is ranged from 303.15K to 560.15K and up to 10MPa . The relative expanded uncertainties of the speed of sound and thermal diffusivity were estimated to be less than 1.3 and 2.6 respectively . The correlations for the speed of sound and thermal diffusivity as function of temperature and pressure were presented based on the experimental data . The absolute average deviations between the experimental data and the calculated results are 0.04 for the speed of sound at atmospheric pressure 0.07 for the speed of sound at | New speeds of sound and thermal diffusivity of ethyl myristate were proposed. The investigated temperature and pressure is ranged from 303.15K to 560.15K and up to 10MPa. The experimental speeds of sound at atmosphere pressure were used to calculate the isentropic compressibility. |
S002196141930299X | Standard molar enthalpy of vapourisation of 2 hydroxyacetophenone and standard molar enthalpies of sublimation of 3 hydroxyacetophenone and 4 hydroxyacetophenone were obtained from the temperature dependence of vapour pressure measured by the transpiration method . Enthalpy of fusion of 3 hydroxyacetophenone was measured by using DSC . Available from literature primary experimental results on temperature dependences of vapour pressures have been collected and they have been treated uniformly in order to derive vapourisation sublimation enthalpies at the reference temperature 298.15K . The available data were successfully checked for internal correlation . Gas phase molar enthalpies of formation of hydroxyacetophenones calculated by the high level quantum chemical methods G3MP2 and G4 were in good agreement with the experimental results . A set of thermodynamic properties of hydroxyacetophenones was recommended as reliable reference properties for thermochemical calculations . Simple group additivity procedures were developed for estimation of vaporisation enthalpies gas phase and liquid phase enthalpies of formation of substituted benzenes . | Vapour pressures of hydroxyacetophenones measured by transpiration. Phase transition enthalpies were derived and evaluated. G3MP2 and G4 gaseous enthalpies of formation in agreement with experiment. A set of reliable thermodynamic properties was recommended. Group additivity was developed for prediction of thermodynamic properties. |
S0021961419303052 | Sodium and potassium ions have an important role in controlling the blood pressure in the body . Potassium ion along with sodium ion regulates the water and the acid base balances in the tissues and blood . In this work solute solvent interactions in the aqueous solutions containing the guaifenesin drug NaCl and KCl salts were studied . To reach this purpose the density and electrical conductivity data for GG drug in water and aqueous solutions of NaCl and KCl were measured within salt and drug molality range of molkg | Solute solvent interactions in aqueous solutions of guaifenesin NaCl and KCl were studied. Density and electrical conductivity for drug in water and aqueous solutions of salts were measured. Limiting apparent molar volume and limiting molar conductivity were found. Low concentration Chemical Model lcCM was used for evaluating the association constant. Quantum computing was used to recognize the interparticle interactions. |
S0021961419303076 | The saturated vapor pressure of 5 biologically active compounds of the series of hydrogenated pyridoindoles were measured using the transpiration method in the temperature range of K. Based on the experimental data the thermodynamic functions of sublimation were calculated . The sublimation enthalpies of the compounds vary from 143.1 to 167.3kJmol | The saturated vapor pressures of 5 biologically active pyrido 4 3 b indoles measured. The sublimation thermodynamic functions of the compounds studied calculated. The space clusterization approach used for estimation the enthalpies of sublimation. The sublimation dissolution and solvation processes studied by diagram method. |
S0021961419303325 | Nowadays green neteric solvents are replaced the conventional organic solvents . In this regard deep eutectic solvents have evolved as neoteric solvents similar to ionic liquids with various applications in different fields . This paper reports the density and speed of sound data of the ionic liquid 1 ethyl 3 methylimidazolium ethyl sulfate in the some DESs choline chloride urea choline chloride ethylene glycol choline chloride glycerol and choline chloride oxalic acid in dilute region concentration of the IL at temperature ranges | Volumetric properties of IL EMIM ES in four deep eutectic solvent were measured. Redlich Mayer equation was used to correlate of. and. in infinite dilution. The solute solvent interactions are in order ChCl U ChCl EG ChCl Gly ChCl OX. |
S0021961419303568 | This work focuses on the determination of important thermochemical properties of several chemical warfare agent simulants diethyl methylphosphonate DEMP CAS 683 08 9 | New experimental vapor pressure results on chemical warfare agent CWA simulants. Work contains experimental results for DEMP TEP malathion and MS. Vapor pressures measured with the transpiration method at ambient conditions. Additional physico chemical properties e.g. enthalpies of sublimation were derived. |
S002196141930401X | The thermodynamic effect and kinetic process of maltose on methane hydrate formation were studied in this work . The gas liquid hydrate equilibrium conditions were measured using the isothermal pressure search method in deionized water and maltose aqueous solutions respectively . The experimental results show that maltose has obvious thermodynamic inhibition effect on methane hydrate formation . The dissociation enthalpies | Methane hydrate thermodynamic equilibrium conditions measured in maltose solution. Dissociation enthalpies of methane hydrate in maltose solution were calculated. Kinetics of methane hydrate in maltose solution was measured. Methane hydrate thermodynamic equilibrium conditions calculated in maltose solution. |
S0021961419304082 | Liquid liquid equilibrium data for ternary systems of methyl isopropyl ketone 2 3 3 4 3 5 dimethylphenol water was determined from 298.15K to 338.15K under 101.3kPa in this work . Distribution coefficient and selectivity were calculated to investigate solvent extraction efficiency of dimethylphenol from water and their high values indicated that MIPK could extract dimethylphenols well . The NRTL and UNIQUAC models were applied to correlate experimental LLE data and related root mean square deviations were less than 0.5 . Additionally the experimental data was predicted by COSMO SAC model and the corresponding RMSD values demonstrated that COSMO SAC model can be applied as a predictive tool to calculate LLE data of the investigated ternary systems . | Methyl isopropyl ketone was a promising solvent for extracting 2 3 3 4 3 5 dimethylphenol from wastewater at 298.15338.15K. A good agreement had been observed between experiment data and calculated data from the NRTL and UNIQUAC models. COSMO SAC model was used to simulate liquid liquid equilibrium data. |
S0021961419304185 | In order to solve the problem that potassium salt product is impure in industrial production . Phase equilibrium structural properties and separation process of potassium ammonium sulfate in aqueous solid solution was studied . First we study solid liquid equilibrium of K | Solid liquid phase equilibrium for the ternary system was investigated. By characterization determined infinite substitutional solid solutions. Two solid solutions are analyzed by FTIR TG DSC EDS mapping . A multistage purification process was developed and proved feasibility for AQ SS. |
S0021961419304586 | Based on the requirement of the new technology for producing ammonium carnallite and NaCl via the solution left after the preparation of potassium salt as raw materials the solubilities of the quaternary system NaCl MgCl | Solubilities of NaCl MgCl. NH. Cl H. O and its ternary subsystem NaCl MgCl. H. O were investigated. The extended Pitzer model was applied to the phase equilibrium calculation. The ion interaction parameters. and. were correlated. A technological process to produce ammonium carnallite and NaCl via mixed solution after extracting potassium chloride. |
S0021961419304884 | In order to reduce negative influence of fossil fuels on environment use of various renewable resources is highly promoted . Terpenes naturally occurring in plants can be added to petroleum fuel as its substitute up to a certain share . Thermodynamic properties of a fuel under high pressure and moderate temperature conditions are of significant importance for engine efficiency . This work reports density measurements of pure p cymene pinene limonene and citral at temperatures K and pressures MPa applying an Anton Paar DMA HP measuring cell . Density data were fitted by modified Tammann Tait equation where the absolute average percentage deviation between measured and calculated densities was about 0.010 . The obtained parameters were used to estimate the isothermal compressibility the isobaric thermal expansion coefficient the internal pressure and the difference between specific heat capacity at constant pressure and at constant volume . For examined compounds all thermodynamic properties except the internal pressure decrease with pressure rise along an isotherm and increase as temperature increases at a constant pressure . The intersection point of isotherms for the isobaric thermal expansion coefficient for pure citral was registered at pressure 47MPa while for other analyzed terpenes the intersection point is above 60MPa outside the measurements pressure range . | Density measurements of various terpenes at moderate temperatures and high pressures. Density data were correlated applying the modified Tammann Tait equation. Calculation of the isothermal compressibility and the isobaric thermal expansion coefficient. Densities of the investigated terpenes decrease citral pinene p cymene limonene. Among studied terpenes citral is most rigid upon volume change. |
S0021961419305385 | Experimental heat capacities of three polycyclic aromatic hydrocarbons benzofluoranthene benzofluoranthene and indenopyrene in the temperature range K are reported . Commercially available relaxation calorimeter was used for measurement . Performance of the apparatus was tested by measuring the heat capacity of copper and sapphire . However PAHs are available in a form of powder and therefore can not be directly placed on measuring platform as e.g . copper specimen moreover sample sublimation can not be ruled out . Modified three step method using powder sample or powder sample pressed into a pellet and inserted into aluminium DSC pans of different weights was tested by measurement of anthracene heat capacity for which high quality data are available in the literature . Pellets of higher weight in a pan of higher mass yielded results in the best accordance with the literature data this method was applied also for measurement of benzoic acid heat capacity . Finally datasets on heat capacity of benzo | Modified method for heat capacity determination of powdered samples was tested. Low temperature heat capacities for three PAHs were measured. It was found that obsolete data for Al. and Cu are frequently used. |
S0021961419305488 | The screening of potential extractant from a set of ionic liquids to extract benzene from cyclohexane with COSMO RS model was conducted in this work . The ternary liquidliquid equilibrium of benzene plus cyclohexane plus I | BMIM I. is selected as the optimum extractant to separate benzene from cyclohexane with the application of COSMO RS model. Factors affecting the predictive result were found to better agree with the experimental result. Quantum calculation is investigated to uncover the mechanism of the extracting process. |
S002196141930552X | The accurate knowledge of the saturation vapor pressure of liquid water and ice has a great importance in a host of applications where humidity measurements are involved since it enables the correct conversion among different physical quantities that quantify the water vapor amount of a humid gas mixture . | New measurements of the saturation vapor pressure of supercooled liquid water along the saturation line are reported. Measurements are carried out in a temperature range where the availability of experimental data in the literature is limited. Measurements are traceable to the SI units. An accurate evaluation of the measurement uncertainty is provided. The comparison with literature data and known formulations is commented. |
S0021961419305683 | It is well known that alcohol beverages are mainly composed by the two core water and ethanol components . 1 propanol and 2 propanol which are the so called ethanol congeners change the physicochemical properties of the binary liquid mixture when present even at small concentration . New accurate density values were obtained for the ternary and binary and liquid mixtures at 293.15K and 0.1MPa . Three dimensional representations of the excess molar and partial molar volumes are presented and interpreted in terms of H bonding packing branching and hydrophobic hydrophilic balance . The branching effect was assessed by the comparison with the ternary system where 1 propanol is substituted by its bulkier isomer 2 propanol . | New density data of the ternary water ethanol 1 propanol mixtures is presented. Use of Cibulka equation to fit excess molar volumes. Excess partial molar volumes of the alcohols reveal that 1 propanol has higher impact in the total volume. The hydrophobic hydrophilic balance shifts to the hydrophobic side with the addition of 1 propanol. |
S0021961419305713 | The focus of this work is physico chemical study of model mixtures containing butanol a component of perspective biofuel . New detailed data on liquid liquid equilibria solubility and critical compositions were obtained at 293.15K and atmospheric pressure for quaternary propionic acid | LLE for the propionic acid. butanol. butyl propionate water have been determined at 293.15K. LLE compositions were correlated by NRTL model. Solubility and compositions of critical points have been obtained at 293.15K. The critical surface in quaternary system was considered. |
S0021961419305750 | The equilibrium solubility of saccharin in binary solvent mixtures of methanol acetonitrile ethanol acetonitrile and isopropanol acetonitrile was determined by using a gravimetric method within the temperature range from 293.15K to 323.15K at atmospheric pressure . Intriguingly the solubility exhibits a maximum value at around 0.5mol fraction of alcohols in all the solvent systems regardless of temperature . The cooperation effect between the solute solvent interaction and solvent solvent interaction was revealed by the molecular simulation study to give the explanation for the dissolving ability of saccharin in solvent mixtures . Moreover the experimental solubility data was correlated by the Jouyban Acree model vant Hoff Jouyban Acree model and Apelblat Jouyban Acree model and the Jouyban Acree model provides the best fitting performance . Furthermore the dissolution thermodynamic properties of apparent standard dissolution enthalpy Gibbs free energy and entropy were computed and the results indicate that the dissolution process of saccharin is non spontaneous endothermic and entropy driven . | The solubility of saccharin in three solvent mixtures was determined. Cooperation effect between solute solvent and solvent solvent interplay was found. The experimental solubility data was correlated by three classical models. The dissolution thermodynamic properties of saccharin were calculated. |
S0021961419305798 | The vapor pressure and vaporization enthalpy of pristane and phytane two compounds of interest to paleobotanists investigating the antiquity of life have been evaluated and compared to existing values by correlation gas chromatography . Vapor pressures have been evaluated from | Pristane and phytane. Vapor pressures and vaporization enthalpies for pristane and phytane are reported. Vapor pressures for pristane are compared to existing literature values. |
S0021961419305816 | The trifluoromethane and difluoromethane are widely used in refrigeration and chemical industry . The isothermal vapor plus liquid equilibrium data for the R23 plus R32 system were determined experimentally at six temperatures from 223.150K to 273.150K . Two models were employed to regress the experimental VLE data PengRobinson equation of state with the one parameter van der Waals mixing rule PengRobinson equation of state combined non random two liquid activity coefficient model with the modified Huron Vidal two order mixing rule . The maximum average absolute relative deviation of pressure AARD | The vapor liquid equilibrium for trifluoromethane R23 difluoromethane R32 system was studied. Measurements were based on vapor phase single recirculation method. The PR vdW and PR MHV2 NRTL model were employed to regress the experimental VLE data. |
S0021961419305828 | Due to the wide application of systems based on germanium ternary Bi Ga Ge and Bi Ge Zn systems were experimentally tested in this study . Used experimental techniques were scanning electron microscope with energy dispersive spectroscopy x ray diffraction and differential thermal analysis . Three groups of samples were prepared and tested . Alloys were from two isothermal sections at 100 and 300C and three vertical sections . Obtained results of experimental tests were compared with predicted phase diagrams . Comparison of EDS and DTA results with calculated phase diagrams of the ternary Bi Ga Ge system results in good agreement . While for Bi Ge Zn was necessary to introduce new ternary parameters . Introduced ternary parameters were based on experimental results from this study . The thermodynamic descriptions of the ternary Bi Ga Ge and Bi Ge Zn systems have been developed by using CALPHAD method . Reasonable agreement between experimental data and the calculated phase diagrams has been reached for both ternary Bi Ga Ge and Bi Ge Zn systems . The liquid projection and invariant equilibria have been calculated by using obtained thermodynamic parameters . | Experimental investigation of the phase transformations temperatures. Experimental investigation of phase equilibria at 100C and 300C. Thermodynamic optimization of Bi Ge Zn liquid phase. Calculated liquidus surface projection and determined invariant reaction. Good agreement of calculation and experimental data is reached. |
S0021961419305919 | Thermodynamic speed of sound data are an important basis for the development of Helmholtz energy equations of state because of their thermal and caloric nature . Moreover they can be measured rapidly and with a high accuracy . Xenon is sampled with the pulse echo technique to provide speed of sound data covering a temperature range from 217K to 500K with a pressure of up to 100MPa . The measurement cells path length is calibrated with water and validated with the reference equation of state by Wagner and Pru . At a confidence level of 95 | The speed of sound of xenon is measured with the pulse echo technique. The present data are critically compared with a reference equation of state and all available experimental literature sources. Parameters of the Lennard Jones potential are optimized to the present speed of sound data highlighting deficiencies of this simple force field model. |
S0021961419306081 | The mutual diffusion coefficients of ethanol n heptane and diethyl carbonate n heptane binary solutions were measured over the mass fraction from 0.05 to 0.95 at the pressure of 0.101MPa and at temperatures | Mutual diffusion coefficients of ethanol DEC n heptane solutions were presented. Measurements were performed at temperatures from 288.15 to 318.15 K. Correlations as a function of mass fraction and temperature were obtained. Strongest non ideal thermodynamic behaviors for a certain composition was revealed. |
S002196141930610X | We have measured the magnetic susceptibility and heat capacity of CuO nanoparticles from 2K to 400K using a Quantum Design Physical Properties Measurement System . The magnetization curves acquired at various field strengths from 0Oe to 50kOe are similar to literature data of bulk and nanoscale CuO showing a minimum at about 150K an upturn as temperature approaches 0K and a broad maximum at high temperatures extending beyond 400K . The heat capacity data between 200K and 400K show several broad peaks . The number of these peaks and the temperatures at which they occur differ significantly from the magnetic transitions known to exist in bulk CuO . To further investigate these transitions in nanoscale CuO we performed temperature dependent x ray diffraction at temperatures from 90K to 700K from which lattice parameters as a function of temperature were derived using a Rietveld refinement . Although no phase transitions were observed in these data changes in the slopes of the lattice parameters are apparent at the transition temperatures observed in the heat capacity and susceptibility measurements . The various transitions in the heat capacity data are attributed to competing ferromagnetic and antiferromagnetic interactions caused by structural properties that are unique to nanophase CuO and the temperature range of multiferroicity in nanoscale CuO is shown to extend to temperatures higher than those observed for bulk CuO . The heat capacity and temperature dependent XRD measurements are the first of their kind to be reported for CuO nanoparticles . | Heat capacity thermodynamics and XRD data for CuO nanoparticles are presented. The heat capacity data show regions of multiferroicity. These. and temperature dependent XRD data are the first reported of their kind. |
S0021961419306123 | The preferential solvation parameters for the self association and the mutual association of each of N N dimethylformamide and propylene carbonate with a co solvent in their binary mixtures as well as the self association of each of these components at infinite dilution in the other component as solvent have been calculated from previously reported experimental data using the inverse Kirkwood Buff integrals approach . | Self association of N N dimethylformamide mixed with organic solvents. Self association of propylene carbonate mixed with organic solvents. Mutual association of N N dimethylformamide with organic solvents. Mutual association of propylene carbonate with organic solvents. Inverse Kirkwood buff integrals for obtaining the preferential solvation parameters. |
S0021961419306391 | The purpose of this paper is broadening the understanding of amine solution behaviour through the experimental measurements of density and viscosity in a temperature range from K. The two selected blends are Piperazine Water and Piperazine 2 Dimethylaminoethanol Water . Densities were measured using a vibrating tube densimeter with an expanded uncertainty | Density and viscosity behavior of PZ and PZ DMAE aqueous solutions is reported. Measurements were carried out up to 140MPa and temperatures 293.15393.15 K. Data were correlated using Tammann Tait and VFT models for densities and viscosities respectively. The fitting results are good and in agreement with the uncertainties. |
S0021961419306457 | Vapour pressure complementary data for two key apple aroma esters ethyl butyrate and ethyl hexanoate two compounds with high relevance to the food industry were measure with a dynamic recirculation apparatus . For pressures from kPa the temperatures experimentally assessed were from K for ethyl butyrate and from K for ethyl hexanoate . Results of the vapour pressures were correlated using Antoines extended Antoines and Wagners equations . Relative root mean square deviations were lower than 0.38 and 0.94 for ethyl butyrate and ethyl hexanoate respectively . Experimental data of dibutoxymethane showed reasonable consistency with the information available in the literature . The vaporisation enthalpies were evaluated using the Clapeyron equation together with the Virial equation of state to estimate the vapour compressibility factor as well a correlation for saturated liquid molar volume . The results for both esters were comparable with data from the literature . | Vapor pressures of two key apple odorants were measured. Measurements were made over the temperature range of 340 to 441 K. The parameters of Antoine and Wagner type equations were estimated. The relative deviations from the three vapor pressure equations were 0.9 . Vaporization enthalpies were estimated using the Clapeyron equation. |
S0021961419306536 | Isothermal vapour liquid equilibrium data for the system has been measured at four temperatures from approximately 343K to 383K using a dynamic analytic apparatus . The densities of mixtures were also measured from 298K to 363K using an Anton Paar DMA 5000 densitometer . The vapour liquid phase equilibrium data were modelled by the | Data for excess properties at four temperatures toluene pyridine system has been measured. The VLE data were modelled using the. approach. The system exhibited azeotropy at all conditions measured. The experimental density data were modelled by an empirical correlation. |
S002196141930655X | Metformin is one of the anti diabetic drugs which is widely used in the world and found abundantly in pharmaceutical wastewater . The purpose of this study the adsorption of MET from aqueous solution by Fe ZSM 5 zeolite as an adsorbent . The zeolite characterization was analyzed using FTIR FE SEM TEM XRD and N | The bifunctional Fe ZSM 5 nano adsorbent removed Metformin by adsorption. The nano adsorbent had the high surface area and uniform morphology. Langmuir adsorption capacity was 14.992mgg. at T 25C. The data well fitted the Langmuir isotherm model R. 0.999 . The developed nano adsorbent had high reusability. |
S0021961419306561 | In this paper a new type of double network composite hydrogel adsorbent with good mechanical properties was synthesized using calcium alginate graphene oxide and acrylic acid . The physical and chemical characteristics of DNC hydrogels were characterized by FTIR TGA XPS SEM . The adsorption properties and adsorption mechanism of Cd | A double network composite gel was successfully synthesized. The gel has a fast adsorption rate for Cd. and a good adsorption effect. The gel has good mechanical properties and can be easily separated and reused. The adsorption behavior was discussed in detail. |
S0021961419306597 | In this work the purpose is to improve the solubility of fenbendazole by co solvent and study the effects of solubility parameters of solvents and solute on the solubility of objective compound . The solubility of fenbendazole in pure and mixed solvents was experimentally determined and correlated by some thermodynamic models . As expected the mole fraction solubility increased with increasing temperature and at 298.15K it was ranked in the following order 1 4 dioxane ethyl acetate acetone 1 butanol | The dissolution of fenbendazole in pure and mixed solvents. Solute solvent interactions were analyzed. The correlation results were evaluated by statistical analysis. |
S0021961419306603 | In polymer based aqueous biphasic systems the understanding the role of different types of polymers in phase separation is important in the selection of a suitable ABS used for separation of biomaterials . For this purpose in this work a systematic investigation of ternary aqueous solutions containing one deep eutectic solvent obtained from mixtures of choline chloride as HBA and D sucrose as HBD and different water soluble polymers polyethylene glycol 400 PEG | VLE for aqueous DES choline sucrose PEG400 PPG400 and PEGDME250 was measured. Volumetric and ultrasonic studies were made on DES polymers. DES polymer interactions were evaluated by all of the above methods. DES polymer interactions for PPG are unfavorable and phase separation is occurred. |
S0021961419306640 | For separation of the azeotropic mixture isobutyl alcohol and isobutyl acetate liquid liquid extraction was adopted in this work and three imidazolium based ionic liquids with different anions 1 butyl 3 methylimidazolium dihydrogen phosphate H | The LLE data for isobutyl acetate isobutyl alcohol ILs were measured and correlated by the NRTL model. The distribution coefficient and selectivity were calculated. The profiles and interaction energies were calculated to explore interaction ILs with isobutyl alcohol isobutyl acetate . Bmim H. PO. is suitable as extractant to separate the azeotropic mixture IBA and IBAC. |
S0021961419306652 | The Co Ti binary system has been investigated by means of experimental measurements and thermodynamic calculations . In order to provide new phase relationship in the Co Ti system 9 key alloys were prepared by arc melting under vacuum . All alloys were examined for phase and composition analysis by means of X ray diffraction and electron probe microanalysis after annealing at 900C for 60days and 1000C for 30days respectively . The invariant equilibrium among liquid L1 | Experimental clarify the invariant eutectic equilibrium among liquid C36 and L1. Thermodynamic optimization of Co Ti system. Scheil solidification simulation was employed to analyze the experimental microstructure of as cast alloys. Good agreement between calculation and experimental data is reached. |
S0021961419306664 | Cyclopentanol is an important intermediate in a production of many chemical specialties . This paper relates to a development of a new technology of indirect cyclopentene hydration in the presence of formic acid and presents the data of liquid liquid equilibrium for the ternary system of under atmospheric pressure and within a temperature range from 298.2K to 338.2K . The experiments were conducted in a temperature controlled glass cell and the received data were correlated with nonrandom two liquid and universal quasichemical equations in order to obtain binary coefficients describing LLE of the given system . A consistency of the experimental tie lines data was validated by the Bachman and Othmer Tobias equations and the data fitting accuracy was evaluated by the use of the calculated average absolute deviation and the root mean square error values . According to our best knowledge the LLE of this system have not yet been published elsewhere and the values of binary interaction parameters should be used for the design of the reactor and separation units in the process of indirect cyclopentene hydration . | Exp. data are coherent throught Bachman and Othmer Tobias equations. Binary interaction parameters for NRTL and UNIQUAC models were calculated. NRTL and UNIQUAC models fit data accurately based on AAD and RMSE values. |
S0021961419306767 | The isothermal solubility of methane in methanol was measured at temperatures from 213.15K to 273.15K and pressures from 1.0580MPa to 6.9947MPa . The static analytical method was used in the experiment which was carried out by sampling from an equilibrium cell using a heated sample cylinder connected to a gas chromatograph and loading the sample into the chromatograph . The SoaveRedlichKwong equation of state with the van der Waals one fluid mixing rule applying the Wilson activity coefficient model with Henrys constant was used to describe the equilibrium behaviour of vapour and liquid phase in the system for binary mixture . The measurements were correlated with the SRK vdW Wilson Henry model . The calculated results indicate that the model not only matches well with the measurements but also predicts optimally VLE data of the system from 213.15K to 273.15K below 7.0000MPa . | Solubility of methane in methanol was measured from 213.15K to 273.15K. SRK vdW Wilson Henry model provides satisfactory correlation with measurements. Model parameters. and. at five temperatures were obtained. Predicted results of model are optimal from 213.15K to 273.15K below 7.0MPa. |
S0021961419306779 | Experimental data of water activity density sound velocity refractive index and viscosity of unsaturated solutions of ammonium heptamolybdate poly water at K were obtained . The concentration range of the solutions was from 0 to 0.4mass fraction of poly with an average molar mass of 4000gmol | Water activities of the NH. MO. PEG 4000 H. O system were determined. Water activities of the constituent binary systems were studied. Temperature effect on the thermodynamic properties for PEG H. O system is higher. Experimental data were satisfactorily correlated with the modified Pitzer model. Physical properties of the NH. MO. PEG 4000 H. O system were determined. |
S0021961419306883 | The solubility of carbon dioxide was determined in dimethyl sulfoxide ethylene glycol and their binary mixtures at the temperatures ranging from 298.15 Kto 328.15K and the pressures ranging from bar . It was shown that the solubility of CO | Solubility of carbon dioxide was measured in DMSO ethylene glycol and their binary mixtures. Non ideal trends in Henrys constant were investigated by OConnell model. Thermodynamic properties of solution were calculated at the temperatures ranging from 298.15 to 328.15K. The effect of solute solvent interactions on solubility was investigated in term of solvatochromic parameters. |
S0021961419306974 | Thermodynamics of phase transitions of long chain linear alcohols were revised by means of complementary experimental techniques transpiration differential scanning calorimetry fast scanning calorimetry and solution calorimetry . Absolute vapor pressure temperature dependencies for heptadecanol 1 and octadecanol 1 were measured by the transpiration and FSC methods . The validity and accuracy of the FSC experimental setup towards reliable vapor pressure measurement was established . It was shown that vaporization enthalpies for heptadecanol 1 and octadecanol 1 obtained by FSC and transpiration method are in good agreement . The SC approach was used for estimation of sublimation vaporization enthalpies of linear alcohols . Energetics of the phase transitions found with the SC approach agree well with that from conventional methods and they are consistent with each other . | Thermodynamics of phase transitions of long chain linear alcohols was revised. The validity and accuracy of the FSC experimental setup towards reliable vapor pressure measurement was established. Solution calorimetry approach was used for validation of sublimation vaporization enthalpies of linear alcohols. Energetics of the phase transitions of linear alcohols are consistent with each other. |
S0021961419307177 | Often common organic solvents have been used in extraction and purification of ceftriaxone disodium from aqueous solution . Therefore in this study the conductometric properties of ceftriaxone disodium were investigated in aqueous solutions of 1 propanol and 2 propanol at | Conductometric properties of CFNa in aqueous solutions of propanol were investigated. The molar conductivity increases with temperature. The activation enthalpy of charge transfer in water is lower than that of water propanol . The ion solvent interactions in water propanol are weaker than that of water. |
S0021961419307256 | To understand the nucleation mechanism and formation process of CP hydrate cage the structure and stability of CP hydrate cage the effect of CP molecule on gas molecules adsorption were studied by the method of | The cage precursor is CP adsorption onto the hexagonal water face. The stabilization energy of CP is higher than that of THF. The water water interactions mostly dominate the formation of cages. Gas molecules are likely to adsorb on the pentagonal faces of cages. |
S002196141930727X | In this work the solubility of the racemate and the enantiomers of 1 1 binaphthyl 2 2 diyl hydrogenphosphate in methanol ethanol n propyl alcohol isopropanol n butyl alcohol isobutanol and ethyl acetate was firstly experimentally determined in the temperature range from K at atmospheric pressure . The results indicated that the solubility of BNP and BNP in seven solvents generally increased with the temperature in the temperature range investigated and at room temperature was in sequence of n butyl alcohol n propyl alcohol ethanol isobutanol isopropanol methanol ethyl acetate . Meanwhile the solubility of BNP was close twice that of BNP which revealed the crystalline BNP was a racemic conglomerate . In particular the effect of sodium deoxycholate reverse micelles on the solubility of BNP enantiomers in methanol ethanol n propyl alcohol and n butyl alcohol was experimentally studied as well . The results showed that the NaDC reverse micelles had a solubilization effect on both enantiomers which increased with the concentration of NaDC . However the solubilization on BNP was larger than that on BNP and the difference in the solubility between two enantiomers increased with the concentration of NaDC . To further clarify the effect mechanism of solvent and reverse micelles on the solubility of enantiomers and racemate the binding processes of solute to solvent cells and different sizes of micelles were firstly simulated by molecular dynamics and docking . The docking simulation clearly showed that bile salt micelles could form more stereoselective hydrogen bonds with the S enantiomer than those with the R enantiomer which leaded to the S enantiomer penetrating more deeply into the pockets of micelles with a more negative binding free energy resulting in a higher solubility of S enantiomer than R enantiomer in organic solvents with bile salt micelles . | Solubility of BNP racemate and enantiomers in organic solvents were firstly measured. Effect of solvent type on solubility was creatively investigated by molecular docking. Chiral discrimination mechanism of NaDC micelles was explored by molecular docking. |
S002196141930730X | The commercial availability of the Physical Property Measurement System by Quantum Design has significantly increased access to heat capacity measurements on a wide variety of materials . Although the PPMS can routinely measure the heat capacities of thermally conducting materials with high accuracy specialized sample mounting techniques must be used for insulating powders and the analysis of first order transitions also requires non standard methods . The concern is that many users are not aware of these constraints when measuring the heat capacity of a diverse array of materials and therefore the heat capacity data reported in the literature can be unreliable . In this paper we provide an extensive and critical review of the heat capacity data reported in the literature measured using the Quantum Design PPMS . The purpose is to provide a de facto standard for sample mounting and data analysis methods suitable for the reporting of accurate thermodynamic data . | A critical review of using the heat capacity option of the Quantum Design Physical Property Measurement System is presented. Sample mounting and data analysis methods affect the accuracy of heat capacity data. Recommendations for obtaining suitable heat capacity data are given. |
S002196141930744X | Use of surfactants in numerous household and industrial processes and their interaction with proteins in our day to day life has made protein surfactant interactions a booming topic among the researchers of current era . Bovine serum albumin being structural homologue to Human Serum albumin allowed us to study its binding efficiency with anionic surfactant such as sodium dodecyl benzene sulfonate . BSA is known as transport protein due its binding characteristics as well as transportation of hydrophobic drugs or ligands to different target areas . Surfactants are also known as eminent constituents of pharmaceutical drug delivery systems . So interactions of BSA SDBS in presence of two industrially important co solvents DMSO and Glycerol have decided its fate as a novel drug delivery system . These interactional studies were performed by means of myriad experimental and theoretical approaches i.e . conductivity fluorescence Ligand Simultaneous Docking and non covalent interactions index . Results showed the dominance of Van der Waals interactions and hydrophobic forces with important changes in the preferred binding site . | Structural changes of Bovine Serum Albumin BSA on addition of an anionic surfactants were studied. A combined scheme experimental and multiple ligand molecular modeling study was performed. Micellization and quenching process were evaluated. |
S0021961419307451 | Surface tension of two binary mixtures of DMSO water and DMSOacetonitrile were measured over the whole range of composition at ambient pressure in the temperatures range between 298.15K and 328.15K . Surface tension deviations were calculated by using the experimental data . The values of for two binary systems are negative that reflect the strong hydrogen bonding between unlike components of mixtures . Surface tension data of the binary systems were correlated using Fu et al . Li et al . MyersScott WangChen and RedlichKister models . The mean value of standard deviation | Surface tension of DMSO with water and acetonitrile at different temperatures was measured. The surface tension data of binary systems were correlated with five models. The interaction energy between components were calculated. DMSO acetonitrile system shows semi ideal behavior. The surface mole fraction of DMSO increase with increasing temperature in water DMSO system. |
S0021961419307499 | Accurate enthalpies of formation of hydrofluoric acid in the gas and liquid states as well as in aqueous solutions are critical for reduction and interpretation of combustion calorimetry data for fluorinated compounds . Analysis of current recommendations reveals inconsistencies with the existing literature that can significantly affect experimental values derived using these recommendations . Through thorough and comprehensive analysis of available experimental data including the sources not considered before we provide recommendations that substantially improve consistency with these results . However the scatter in the existing data also prevents further improvements and uncertainty reduction . New experimental data particularly for aqueous HF solutions are needed to advance . | Available experimental results for hydrofluoric acid are collected and analyzed. New provisional recommendations for HF l HF aq and HF g are provided. The updated. None. F. aq significantly deviates from the CODATA value. |
S0021961419307505 | In the present study with the aim to discover the governing interactions in binary mixtures containing diisopropyl ether and short range 2 alkanol experimental values of density and viscosity at temperature range 293.15K323.15K were reported . From these data values of excess molar volume partial molar volume and viscosity deviation for mentioned systems were calculated . Findings show that strong interactions occur among unlike molecules while increasing in the carbon chain length of 2 alkanol reinforces the interactions . Also the perturbed chain SAFT equation of state was implemented to study the density and partial molar volume of binary mixtures . Combination of this model with Free Volume Theory was applied for prediction of binary viscosities . Maximum deviation in AAD for density correlation regarding PC SAFT model was 1.21 and for viscosity calculation was 2.19 . | Molecular interactions in binary mixtures increase with alcohols chain length. PC SAFT model can correctly calculate the densities and partial molar volumes of binaries. FV Theory coupled with PC SAFT can correlate and predict binary viscosities with reasonable agreement. |
S0021961419307736 | Standard molar enthalpies of vaporization sublimation of nitro and amino substituted benzaldehydes were obtained from the temperature dependence of vapour pressure measured by the transpiration method . Enthalpies of fusion of these compounds were measured by using DSC . Solution enthalpies of nitro and amino substituted benzaldehydes were measured by using a solution calorimeter . Available from literature primary experimental results on temperature dependences of vapour pressures have been collected and they have been treated uniformly in order to derive vaporization sublimation enthalpies at the reference temperature 298.15K . Standard molar enthalpies of formation of crystalline isomers of nitro benzaldehydes were measured by using combustion calorimetry . Gas phase molar enthalpies of formation of substituted benzaldehydes were calculated by the high level quantum chemical G4 method and they were used for evaluation of available experimental results . A set of thermodynamic properties of substituted benzaldehydes was recommended as reliable reference properties for thermochemical calculations . Simple group additivity procedures were developed for estimation of vaporization enthalpies gas phase and liquid phase enthalpies of formation of substituted benzenes . | Vapour pressures of substituted benzaldehydes measured by transpiration. Enthalpies of formation were measured by combustion calorimetry. Phase transition enthalpies derived were derived and evaluated. G4 gaseous enthalpies of formation in agreement with experiment. A set of reliable thermodynamic properties was recommended. Group additivity was developed for prediction of thermodynamic properties. |
S0021961419307840 | Bicifadine has been used for the treatment of acute and persistent pain . The vaporization enthalpy and the vapor pressure of bicifadine were evaluated using correlation gas chromatography with secondary amines as standard compounds . A vaporization enthalpy of kJmol | Vaporization enthalpy and vapor pressure of bicifadine are reported. Vapor pressure of bicifadine have been measured as function of temperature. Secondary aliphatic amines were used as vaporization enthalpy standards for bicifadine. |
S0021961419307906 | The solubility profile of apixaban in pure and mixed solvents within the temperature range from K under atmosphere pressure was studied and evaluated by some thermodynamics models . The solid state of apixaban in equilibrated form was characterized using powder X ray diffraction technique . The maximum mole solubility in pure solvents was obtained in 1 4 dioxane 3.64810 | Research the solubility of apixaban in different solvents. Extended Hildebrand solubility approach EHSA was applied to evaluate the co solvency phenomenon. The experimental data were correlated by some thermodynamic models. The mixing thermodynamic properties of apixaban were evaluated. |
S0021961419308481 | Liquid liquid equilibrium data for n heptane p xylene furfural dimethyl sulfoxide ternary systems were measured at 303.15K and 323.15K and atmospheric pressure . Extraction performance of furfural and DMSO were evaluated using distribution coefficient and selectivity according to the measured tie line data . And the results showed that DMSO had better extraction performance than furfural for separation of n heptane and PX . Both UNIQUAC and NRTL models were used to correlate the experimental LLE data and relevant interaction parameters were obtained . Consistency between the measured LLE data and the calculated by these two models was well evaluated by RMSD and maximum absolute deviation . Moreover reliability of binary interaction parameters was confirmed by topological analysis related to the Gibbs tangent plane test . | LLE for n heptane p xylene furfural or DMSO systems were investigated. DMSO is a suitable extractant for extraction separation of n heptane and p xylene. The UNIQUAC and NRTL models were adopted to correlate the experimental LLE data. The binary interaction parameter values were obtained from the data correlation. |
S0021961419308535 | The dissolution behavior of naftopidil in methanol ethanol ethyl acetate toluene acetone acetonitrile and two mixtures of and was studied . In pure and mixed solvents the solubility was determined experimentally and correlated by some thermodynamic models . The maximum data was obtained at 313.15K in toluene and the minimum data was obtained at 273.15K in acetonitrile . Moreover there is co solvence phenomenon in two co solvent mixtures the values increased monotonically with the increasing temperature while increased with increasing co solvent mass fraction | Research the dissolution behavior of naftopidil in pure and mixed solvents. Extended Hildebrand Solubility Approach was used to explain co solvence phenomenon. The solubility data were correlated by some thermodynamic models. Some apparent thermodynamic properties were evaluated. |
S0021961419308584 | The solubility of thiamethoxam in nine single solvents and binary mixed solvents was measured by dynamic laser method from 278.15K to 323.15K under pressure of 101.2kPa . Modified Apelblat equation | Solubility of thiamethoxam in nine pure solvents and one binary mixed solvent was measured. Polar properties and similar phase dissolution theory were applied to explain the solubility behavior. Solubility data was correlated by Modified Apelblat. Wilson NRTL Wilson and Jouyban acree model. The thermodynamic properties of dissolution in pure and mixed solvents are calculated by Wilson equation. |
S0021961419308705 | Ionic liquids start to leave the position of novel and astonishing compounds and become commercially available in a relatively high purity . Consequently their thermodynamic properties should be described in a more thorough way than in the times of first pioneering studies revealing the importance of the water content . Available thermodynamic data however contradict this assumption keeping large discrepancies even among the data published in the most recent papers . Eight common ionic liquids based on the 1 ethyl 3 methylimidazolium cation C | Phase behaviour and heat capacities of eight C. Im ionic liquids are studied calorimetrically. Special attention is payed to drying of the samples and evaluation of the effect of water content. Calorimetric results are critically compared with the literature data proving superior purity and lower uncertainty. Crystal structures are determined for C. Im Me. PO. C. Im OTs and two polymorphs of C. Im NO. . |
S0021961419308730 | Experimental molar heat capacities at atmospheric pressure have been determined for the mixture carvacrol ethanol every 10K in the temperature interval K and over the entire composition range with a Calvet type calorimeter . Densities necessary for determining isobaric heat capacities and ultrasonic speed of sound have been also measured at the same conditions . From these properties isobaric thermal expansivities isentropic compressibilities isothermal compressibilities internal pressures and isochoric molar heat capacities have been calculated . Furthermore in order to complete our thermophysical study the corresponding excess properties have been calculated and discussed in terms of molecular interactions . Finally excess molar isobaric heat capacities have been calculated with COSMO RS and compared to the experimental values . | and. were determined for mixtures carvacrol ethanol between 298.15328.15 K at 0.101MPa. and C. were calculated for mixtures carvacrol ethanol as well as all the involved excess properties. are sigmoidal shaped in the whole composition range and increase as temperature rises. The values of excess properties point to stronger interactions in the mixture than in the pure compounds. COSMO RS was applied to predict |
S0021961419308870 | The equilibrium 5 nitrosalicylaldehyde solubility in methanol water ethanol water isopropanol water and acetonitrile water mixtures was determined by a shake flask method from 273.15K to 313.15K under local pressure of 101.2kPa . At the same mass fraction of methanol and temperature the mole fraction solubility of 5 nitrosalicylaldehyde was greater in mixture than in ethanol water isopropanol water and methanol water mixtures . The relative importance of solutesolvent and solventsolvent interactions upon the solubility variation was valued by using the linear solvation energy relationship analysis of solvent effect . The method of inverse KirkwoodBuff integrals was used to study the preferential solvation on the basis of thermodynamic solution properties . The preferential solvation parameters for methanol ethanol isopropanol and acetonitrile were positive in the four mixtures in co solvent rich and intermediate composition indicating that 5 nitrosalicylaldehyde was solvated preferentially by the co solvent . It is conjecturable that in these regions 5 nitrosalicylaldehyde acts as a Lewis acid with the alcohols molecules while for the acetonitrile water mixture the preferential solvation could be attributed to polarization effects . Moreover the drugs solubility was mathematically represented via the Jouyban Acree model acquiring the average relative deviations 6.03 . | Solubility of 5 nitrosalicylaldehyde in four solvent mixtures was determined and correlated. Preferential solvation of 5 nitrosalicylaldehyde in four mixtures were derived by IKBI method. Studies on solvent effect were performed in terms of solutesolvent and solventsolvent interactions. |
S0021961419308912 | Isobaric vapour liquid equilibrium data of dimethyl succinate dimethyl glutarate dimethyl adipate ternary system was measured at 2kPa 5kPa and 8kPa with a dynamic recirculating apparatus and the temperature ranged from 364.46 to 403.55K . The experimental data was correlated with NRTL Wilson and Uniquac models . The results showed that the maximum value of the root mean square deviation of the vapour phase mole fraction of the ternary system correlated by the three models is 0.0083 0.0076 and 0.0084 respectively . The vapour liquid equilibrium data of the ternary system was predicted by the interaction parameters of NRTL Wilson and the Uniquac models in the literature . The results showed that the maximum value of the root mean square deviation of the vapour phase mole fraction of the ternary system predicted by the three models is 0.0547 0.0471 and 0.0498 respectively . The deviation between the experimental value and the regression value or the predicted value was small and both met the needs of design calculation of the engineering separation . The results obtained from the regression of experimental values are significantly better . | The VLE data of dimethyl succinate dimethyl glutarate dimethyl adipate system. The VLE data were measured at 2 5 and 8 kPa. The VLE data of ternary system were correlated by NRTL Wilson Uniquac models. The ternary VLE data were predicted from binary parameters in the literature. |
S0021961419308961 | The isobaric vapourliquid equilibrium data for the binary system of cyclohexanol cyclohexylbenzene were determined at kPa with a dynamic recirculating apparatus and the temperature ranged from 358.10K to 456.43K and the thermodynamic consistency of the experimental data was checked by the Herington area method and Van Ness method . Afterwards the experimental data was correlated with NRTL Wilson and UNIQUAC model and the corresponding interaction of thermodynamic models of the binary system parameters were obtained through the Aspen software . The results indicated that all three models represent the experimental values quite well while the NRTL model provided a slightly better result than Wilson model and UNIQUAC model . The maximum root mean square deviation of the temperature and vapour phase mole fraction for the NRTL model was less than 0.4K and 0.004 respectively . | Measured the isobaric VLE data of cyclohexanol and cyclohexylbenzene at 5 10 15 20 and 25kPa. Thermodynamic consistency of the VLE data was checked with the Herington test and Van Ness test. VLE data were correlated by NRTL UNIQUAC and Wilson model. Binary interaction parameters between cyclohexanol and cyclohexylbenzene were obtained. |
S0021961419309012 | The solidliquid equilibria of a poorly soluble drug namely dipyridamole were assayed to determine solubility in pure and binary mixtures between 273.15K and 313.15K under atmospheric pressure . The solubility profiles of dipyridamole in pure and mixed solvents were evaluated by some thermodynamic models . The maximum solubility in mole fraction was obtained in pure | Study the solubility profiles of dipyridamole in pure and mixed solvents. KAT LSER model was applied to analyze the effect of the solutesolvent intermolecular interactions on the solubility. The solubility profiles were correlated by two thermodynamic models. Some thermodynamic properties of dissolution process are calculated. |
S0021961419309073 | Density as a function of temperature is determined for a set of chymotrypsin and bovine serum albumin solutions in pure water both in the native and the degraded state the latter achieved by heating them above the denaturation temperature . This allows the temperature of maximum density to be obtained against composition . Partial molar volume at infinite dilution of the protein is also calculated . Thermodynamic consistency between composition dependence of TMD and temperature dependence of partial volume is checked obtaining satisfactory results . TMD behaviour against mass fraction for both native proteins is very similar but important differences between native and degraded states and also between the degraded forms of both proteins are found . These results show for the first time the strong effects that protein degradation have over the TMD of aqueous solutions and therefore over the microscopic structure of water . | Density for chymotrypsin and bovine serum albumin aqueous solutions is measured. Temperature of Maximum Density TMD is calculated against composition. Native and degraded forms of both proteins are studied. A thermodynamic consistency test between partial molar volume and TMD is done. Important differences between native and degraded forms are found in TMD curves. |
S0021961419309231 | This work is an attempt to determine appropriate solvents for extractive desulfurization which is the dominant alternative to the risky and expensive solution which is hydrodesulfurization . The main part of this research is the study on phase equilibria in IL heptane or thiophene or 2 methylthiophene or benzothiophene binary systems and IL thiophene 2 methylthiophene benzothiophene heptane ternary system . In this work five new synthesized tricyanomethanide based ILs that is | LLE data for IL thiophene 2 methylthiophene benzothiophene heptane were determined. The. and. for the extraction of thiophene 2 methylthiophene benzothiophene from heptane were presented. Results of. and. were compared with available literature. The NRTL model satisfactorily correlates the LLE data. The synthesis and physicochemical properties of ILs are presented. |
S0021961419309292 | The hydrate based thermal energy storage system is one of the most effective supplemental technologies to stabilize the energy supply for renewable energies . The system is expected to solve the global energy management issues related to energy demand increase and energy supply chain . In fact this eco friendly technology requires prospective hydrate candidates for the thermal energy storage media followed by the extensive investigation of the thermophysical properties of the selected hydrates . In this study to satisfy these requirements the equilibrium temperature and the dissociation heat of tetrabutylphosphonium acrylate ionic semi clathrate hydrate were studied . It was found that the highest equilibrium temperature was 14.4C at the mass fractions from 0.37 to 0.40 . It was also found that the largest dissociation heat was kJ kg | First investigated thermophysical properties of TBPAc hydrate as the thermal energy storage medium. Showed the relationship between the mass fraction and the thermophysical properties of TBPAc hydrate. TBPAc hydrate with the highest equilibrium temperature 14.4C was suitable for the general or air conditioning systems. The dissociation heat of TBPAc hydrate 210.4kJkg. was the greatest in the sustainable and eco friendly TBP hydrates. Revealed a new significance tendency on the thermophysical properties of TBP carboxylate hydrates. |
S0021961419309346 | In the present work a detailed thermochemical experimental and theoretical study of benzocaine is presented . The enthalpy of formation in crystalline state at | Combustion experiments were carry out on benzocaine. Thermochemical properties were determined experimentally and theoretically. Entropy of benzocaine was computed from computational methods. Gibbs energy of benzocaine in gas and solid states were derived. |
S0021961419309449 | Aqueous solubility of acetaminophen in the presence of 1 octyl 3 methyl imidazolium bromide 1 butyl 4 methyl pyridinium bromide and 1 octyl 4 methyl pyridinium bromide ionic liquid as co solvent was investigated at different temperatures and mass fraction of ionic liquid . The obtained results reveal that the solubility of acetaminophen was increased by increasing temperature and concentration of ionic liquid . Solubility of ACP was significantly increased when mass fraction of 1 octyl 3 methyl imidazolium bromide and 1 octyl 4 methyl pyridinium bromide reaches to more than 0.05 . The possible reasons behind enhanced solubility of ACP in aqueous solution of ionic liquid are hydrophobic interaction and the formed micelles by cations of ionic liquid . Thermodynamic functions of dissolution were calculated by Van t Hoff equation . The experimental solubility of acetaminophen was correlated with the modified Wilson and the electrolyte NRTL models as activity coefficient model . | Aqueous solubility of acetaminophen in some ionic liquid was investigated. Thermodynamic functions of dissolution of acetaminophen were calculated. The solubility of acetaminophen was correlated with the Wilson and E NRTL models. |
S0021961419309474 | New regulations have been approved that some refrigerants including R134a blends will be phased out . As mixed refrigerants especially positive azeotropic blends R1243zf R290 mixture could be a corresponding substitute for R134a blends with similar thermodynamic properties and low GWP . In this study the VLE data for the binary system of R1243zf R290 were measured with a recirculation method at six temperatures K. The measurement uncertainties of the temperatures pressures and compositions are estimated to be less than 5mK 800Pa 0.005 respectively . All the experimental data were correlated by PR vdW and PR HV NRTL models . The maximum average absolute relative deviation of pressure AARD | The VLE data for R1243zf R290 binary system were measured. Measurements were carried out based on the recirculation method. Experimental data were correlated with the PR vdW model and PR HV NRTL model. Azeotropic behaviors was found. |
S0021961419309528 | Thermodynamic properties of novel bio based deep eutectic solvents and their mixture with other solvents is of great importance in extraction and pharmaceutical sciences . In the present study new class of these neoteric sustainable solvents composed of amino acids and lactic acid have been prepared density and speed of sound data for neat lactic acid alanine lactic acid glycine and lactic acid histidine and their aqueous mixture have been measured over the entire composition range at | Some bio based DESs lactic acid amino acids were prepared. Density and speed of sound of aqueous DES solutions were measured and reported. The excess thermodynamic properties were calculated. Redlich Kister equation was used to correlate excess quantities. |
S0021961419309620 | The gaseous PVTx properties of 1 1 1 3 3 pentafluoropropane 1 1 difluoroethane mixtures are measured at temperatures from 305.20K to 340.05K at 5K intervals and pressures up to 0.8MPa for mixture and the compositions of R245fa from 0.85 to 0.60 mass fraction using the Burnett isothermal expansion method . The uncertainties of experimental device is estimated to be within 10 mK for temperature 4.0kPa for pressure 0.3 for mass fraction and 0.06 for the composition factor . The experimental results are used to obtain tables of densities and compressibility factors for each mixture . And the second and third virial coefficients of gas virial EOS are fitted on the basis of experimental PVTx data . It provides a data reference for a further study of the R245fa R152a mixtures which used low temperature Organic Rankine Cycle . | The mixed refrigerants R245fa R152a as a new alternative ORC refrigerant. experimental data of R245fa R152a mixtures at six mass fractions. Virial equations of state are fitted. |
S002196141930984X | In this work the effects of co solvent and pressure on Michaelis constants at ambient temperature were analyzed for the enzymatic peptide hydrolyses of | Solubility of. phenylalanine. nitroanilide was measured in different solvents. Pressure decreases Michaelis constant K. for hydrolyses of HPNA and SPNA. TMAO and DMSO decrease K. of HPNA while they increase K. of SPNA. Co solvent and pressure effects on K. were predicted correctly with PC SAFT. Substrate co solvent molecular interactions activity coefficient determine K |
S0021961419310080 | In this paper volumetric ultrasonic and viscometric analysis of thiamine hydrochloride in aqueous and mixed aqueous solutions of saccharides such as 0.1molkg | The physical parameters like density speed of sound and viscosity of ternary systems are investigated. The systems used are thiamine hydrochloride in aqueous solutions of various saccharides. Thermodynamic compressibility and transport properties are evaluated for the systems under study. The results are discussed in terms of ionic hydrophilic and hydrophilic hydrophilic interactions. The solute behaves as structure breaker in the ternary systems. |
S0021961419310146 | In order to study the solubility of the formed solute in the reaction solvent the solubility of propacetamol hydrochloride in pure and mixed solvents was experimentally determined at | The solubility of propacetamol hydrochloride in pure and binary solvents. The solubility data were correlated by some thermodynamic models. The effect of solvent properties on the solubility was analysed. Some thermodynamic properties of dissolution process were evaluated. |
S0021961419310341 | We present viscosity measurements of three gas mixtures as well as of the pure fluids methane and ethane over the temperature range from | Viscosities of methane ethane mixtures were measured accurately. A rotating body viscometer with magnetic suspension coupling was used. Comparisons with literature data ab initio and model values are presented. Good agreement with recent ab initio calculations and current reference values was found. The experimental data were correlated with the modified Enskog theory. |
S0021961419310493 | In this work the effect of ILs functionalization of the interaction of IL with organic solutes and water at infinite dilution has been investigated . Based on the experimental activity coefficients at infinite dilution | Activity coefficients at infinite dilution in the two TCM based ionic liquids. None. and. of the 50 solutes in the IL have been calculated. The gas liquid partition coefficients of the solutes. were calculated. and. for separation problems were calculated from. and compared with data for other ILs. |
S0021961419310572 | Mole fraction solubility of rebamipide in mixtures of propylene glycol water | Rebamipide solubility in four aqueous co solvent mixtures of alcohols was determined and correlated. Solvent effect was studied in terms of solvent solvent and solute solvent interactions. Preferential solvation of rebamipide in four mixtures were derived through IKBIs method. |
S0021961419310596 | This study presents the solubility profiles of promethazine hydrochloride in pure and mixed solvents . The effects of temperature and composition of mixed solvents on solubility were investigated . Maximum solubility value was obtained in | Research the solubility profiles of promethazine hydrochloride in pure and mixed solvents. Discuss the effect of solvent properties on the dissolution process. The interaction between promethazine hydrochloride molecule and solvent molecules was analyzed. Some thermodynamic properties of dissolution process are evaluated. |
S0021961419310602 | The pharmaceutical salt of imatinib prepared with low purity did not meet the pharmaceutically acceptable quality . The objective of this work is to research the shape of the solubility profile of imatinib in pure and mixed solvents at | Study the solubility of imatinib in pure and mixed solvents. Solute solvent interactions and co solvency phenomenon were analyzed. Two thermodynamic models were used to evaluate the solubility profile. Some thermodynamic properties of dissolution process were calculated. |
S0021961419310638 | In this work the solubility of doxifluridine in methanol ethanol n propanol n butanol isobutanol n Pentanol n hexanol n octanol 2 ethyl 1 hexanol acetone dimethyl formamide dimethyl sulfoxide were experimentally determined by a laser dynamic method within the temperature range from 278.15K to 333.15K at 101.3kPa . The measured results demonstrated that the experimental solubility of doxifluridine in all selected pure solvents increased with the rise of temperature . It was also found that the order of the mole fraction solubility of doxifluridine in the twelve mono solvents was DMSO DMF methanol acetone ethanol n propanol n butanol n pentanol n hexanolisobutanol n octanol 2 ethyl 1 hexanol . In order to facilitate the industrial application and other studies the experimental data of solubility were fitted well using the h equation the van t Hoff equation the modified Apelblat equation the NRTL model and the UNIQUAC model . Moreover the apparent thermodynamic properties of doxifluridine in all mono solvents were investigated by the famous modified Van t Hoff equation from the solubility data . | Solubility of doxifluridine in twelve pure solvents was measured. Solubility data was correlated by h van t Hoff Modified Apelblat NRTL and UNIQUAC model. The apparent thermodynamic properties of doxifluridine dissolution in pure solvents were evaluated. |
S002196141931081X | Based on the requirement of the new technology to achieve comprehensive utilization of sodium and magnesium resources by using the mother solution from the preparation of potassium salt as raw material the phase equilibrium data of the quaternary system NH | Solubilities of quaternary system NaCl MgCl. NH. Cl H. O at 348.15K. The extended Pitzer model was used to predict the phase equilibrium data. The ion interaction parameters. and. at 348.15K were regressed and calculated. An optimized process to produce ammonium carnallite. |
S0021961420300112 | The accuracy of experimental data on enthalpies of formation and vaporization of cyclic aliphatic amines was assessed by theoretical calculations . The gas phase enthalpies of formation were calculated using the Gaussian 4 method combined with isodesmic reactions . The enthalpies of vaporization were estimated by group additivity and molecular electrostatic potential models and then were used to calculate the enthalpies of formation in the liquid state whenever experimental results were unavailable or unreliable . Evidence of experimental errors was derived taking into account the discrepancies between calculated and experimental enthalpies of formation which were significantly larger than expected from the computational method . Special attention was made to the possible inaccuracy in the experimental data for piperazine which is the key compound in the thermochemistry of nitrogen heterocycles . | Experimental data for 16 cyclic amines are recommended as a set of reliable benchmarks. Errors are suggested for 6 species including key compounds piperazine. trimethyltriazine . Enthalpies of formation and vaporization are firstly estimated for 18 cyclic amines. |
S0021961420300185 | In this paper the heat capacity data of two crystal forms and liquid state of glycolide were obtained by differential scanning calorimetry . Their Gibbs energies were calculated by thermodynamic data and relevant thermodynamic equations . The melting point and melting enthalpy of Form 1 which cant be experimentally determined were successfully calculated . According to the calculated Gibbs energy thermodynamic stability regions of Form 1 and Form 2 of glycolide were obtained . Through analyzing data of Gibbs energy and activation energy of polymorphic transformation process the thermodynamic mechanism of the stability and polymorphic transformation behaviors of the two forms of glycolide was proposed and discussed . | The Gibbs energy of two crystal forms and liquid state of glycolide was calculated by thermodynamic data. The melting point and melting enthalpy of Form 1 which cant be experimentally determined were successfully calculated. The thermodynamic stability regions of Form 1 and Form 2 of glycolide were obtained. The thermodynamic mechanism of polymorphic transformation behaviors of glycolide was proposed and discussed. |
S0021961420300215 | For this article we investigated the phase behavior and physicochemical properties of the ternary systems MCl tetramethylurea H | MCl TMU H. O systems M Na K Rb Cs TMU tetramethylurea . LLE systems of CsCl TMU H. O at 298.2 and 308.2K. SLE system of CsCl TMU H. O at 288.2K. SLE systems of NaCl KCl RbCl TMU H. O at 288.2 298.2 and 308.2K. Affecting factors of temperature solubility and solvent properties are discussed. |
S0021961420300239 | In the present study to improve separation proficiency of polyvinyl chloride membrane polyvinyl chloride is combined with 1butyl4methylpyridinium ionic liquids with different anions bromide | Gas separation performance of PVC IL blends membranes was investigated. The selectivity of PVC IL blend membranes increases with increasing feed pressure. The selectivity of PVCIL blend membranes decreases by the increasing temperature. The PVC BMPyr SCN blend membrane perform better than other membranes. |
S0021961420300264 | In this study a comprehensive investigation on the volumetric properties of mixtures of a deep eutectic solvent and an alcohol was carried out . Ethaline which is one of the more common DESs and methanol were chosen to make the desired mixtures . Nine different mixture compositions of Ethaline methanol over the full range of concentrations were prepared . Densities of pure Ethaline and methanol and also nine mixture samples were measured at five temperatures from 283.15 to 323.15K and atmospheric pressure . The excess volumes of the investigated mixtures were calculated and modeled with the Redlich Kister model . All of the calculated values of excess volumes were negative which probably shows stronger hydrogen bond contributions and better interstitial accommodations in the mixtures with respect to the pure states . Furthermore other volumetric properties such as partial molar volumes and excess partial molar volumes at each composition and at infinite dilution were calculated . By analyzing the calculated volumetric properties the greater tendency of Ethaline for solvation in the mixture was observed as compared to methanol . Therefore it is suggested that probably the hydrogen bond networks in the mixture are created in a pattern in which mostly Ethaline occupies central positions being surrounded largely by methanol molecules . | Densities of ethaline methanol mixtures were measured from 283.15 to 323.15 K. A comprehensive volumetric investigation was carried out on investigated mixtures. All of the investigated mixtures showed negative excess molar volumes. |
S0021961420300288 | Nifedipine is an oral calcium channel blocker in clinical practice and widely used to prevent and treat heart diseases . In this work the equilibrium solubility of nifedipine in twelve pure solvents including alcohols and esters was determined by static method at temperatures ranging from 283.15K to 323.15K . In all studied solvent systems the solubility increases monotonously with increasing temperature . Besides the effect of solvent properties on solidliquid phase equilibrium of NIF was investigated . The results show that the solubility of NIF correlates well with the solvent properties in alcohol solvents but no obvious correlation can be found in ester solvents . In addition the solubility data was correlated with the modified Apelblat equation | Solubility of nifedipine was measured by static method in twelve pure solvents. Four thermodynamic models were used to correlate the solubility data. Solute solvent interactions were probed by solvent properties solvation free energy and profiles. Solubility of nifedipine in the studied solvents was predicted by the COSMO RS model. |
S0021961420300306 | The equilibrium solubility of 3 methyl 6 nitroindazole in co solvent mixtures of acetonitrile water ethanol water and n propanol water is reported . Experiments were performed by using the saturation shake flask technique at temperature range from 278.15 to 328.15K . The maximum solubility value was observed in neat acetonitrile ethanol or | 3 Methyl 6 nitroindazole solubility in three aqueous co solvent mixtures of alcohols was determined and correlated. Preferential solvation of 3 methyl 6 nitroindazole in five mixtures were derived via IKBIs method. Solvent effect was studied in terms of solute solvent and solvent solvent interactions. |
S0021961420300343 | The solubility of the antifungal drug fluconazole in buffer solutions of different acidity 1 octanol and hexane in the temperature range K is determined by the isothermal saturation method . The solubility of the compound in selected solvents increases as follows hexane buffer pH 7.4 buffer pH 2.0 1 octanol buffer pH 1.2 and does not exceed 0.2moll | Solubility of fluconazole was measured in buffers pH 1.2 2.0 7.4 hexane and 1 octanol. The melting temperature and enthalpy of fluconazole were obtained. The vapor pressure and sublimation thermodynamics were determined. |
S0021961420300367 | Decane is a major ingredient of many transportation fuels and is widely used as the additive in engineering domain . To supplement the existing database the speed of sound in | New experimental data of the speed of sound in. decane along five isobaric lines were presented. The short fundamental EOS of Lemmon and Span were assessed by the experimental speed of sound in. decane. The influences of the pressure on the internal pressure in. decane first become smaller and then become greater as the temperature rises. |
S0021961420300501 | In this paper high pressure densities at six different temperatures are presented and viscosity measurements at five isotherms in the range of 313.15K to 393.15K are also reported both for two aqueous solutions of MDEA DEA with mass fractions of | Densities and viscosities of MDEA DEA water mixtures at mass fractions of amines 0.1 0.3 and 0.3 0.1 are reported. These properties were measured from 313.15 to 393.15 K and pressures up to 100MPa for viscosity and 140MPa for density. Densities were correlated using Tamman Tait equation and VFT was used to correlate viscosity. These models give standard deviations in agreement with the uncertainties. |
S0021961420300525 | This work was to investigate piperonylonitrile in terms of its solidliquid equilibrium solubility in thirteen pure solvents by employing laser monitoring technique . Solubility measurements were completed in range of temperature at K in 1 4 dioxane and at K in isopropanol 2 methoxyethanol ethanol ethyl acetate methanol | Solubility of piperonylonitrile in thirteen pure solvents was measured. Hansen solubility parameter was employed to explain solubility behaviors. Solvent effect was studied in terms of solventsolvent and solutesolvent interactions. Solubility was correlated by five thermodynamic models. Mixing thermodynamic properties were calculated by UNIQUAC model. |
S0021961420300604 | Apparent molar volumes apparent molar isentropic compressibilities and relative viscosities for streptomycin sulphate aqueous solutions at different compositions of solute as also cosolute are determined from experimental set of densities speeds of sound and viscosities collected at different temperatures . Infinite dilution values of apparent molar volumes and apparent molar isentropic compressibilities using least squares fittings of appropriate equations are correlated in terms of solutesolute and solutesolvent interactions . The various parameters in relation to densities and speeds of sound are also evaluated . The viscosity data has been used to determine Falkenhagen coefficient | Density speed of sound and viscosity of ternary systems are investigated. Thermodynamic properties are evaluated for various concentrations and temperatures. UVvisible studies have also been recorded for present systems. The solute behaves as structure maker in the ternary systems. The results are discussed in terms of hydrophilic ionic interactions. |
S0021961420300665 | Experimental analysis of vapour liquid phase equilibrium for five binary pairs of diethyl carbonate with methyl acetate ethyl acetate isopropyl acetate n butyl acetate and isoamyl acetate was carried out in this study . VLE data were generated experimentally at local atmospheric pressure of 95kPa in a glass dynamic recirculation still . Reliability of data was checked with the thermodynamic consistency tests by Van Ness infinite dilution pure component and mean absolute deviation test . Experimental data was found to be thermodynamically consistent with all tests and data was regressed with Wilson NRTL and UNIQUAC activity coefficient models to determine binary interaction parameters . Binary pair of DEC with n butyl acetate has shown azeotropic behaviour with minimum boiling azeotrope and a close boiling behaviour through out the composition range . No azeotropic behaviour was observed for the rest of the binary pairs . | Vapor liquid phase equilibrium behaviour is analyzed experimentally for five pairs of diethyl carbonate with esters. Vapor liquid equilibrium VLE data is generated at local atmospheric pressure in the form of T x y plots. Thermodynamic consistency of the data is checked to confirm suitability of the data for process modelling applications. |
S0021961420300768 | The critical temperatures pressures heat capacities and thermal diffusivities of valerolactone and methyl ethyl butyl and pentyl pentanoates have been measured . Heat capacities and thermal diffusivities have been measured at atmospheric pressure in the temperature ranges from 298.15K to 473.15K and from 303.15K to 383.15K respectively . Experimental critical constants have been compared with those calculated using the group contribution methods of Wilson and Jasperson Jobak Constantinou and Gani Marrero and Gani and Hukkerikar et al . The thermal conductivities of the compounds under study have been calculated using experimental data . The temperature dependencies of heat capacities thermal diffusivities and thermal conductivities have been approximated by third order and first order polynomials . The coefficients of these polynomials have been given . Experimental heat capacities have been compared with those estimated by the methods of Kolska et al . | Critical properties heat capacities and thermal diffusivities were measured. Measurements were performed for liquid valerolactone and four n alkyl pentanoates. The thermal conductivities of the compounds under study were calculated. Valerolactone is an intermediate in the process of biomass conversion into fuels. Alkyl pentanoates are motor fuels produced from biomass. |
S0021961420300835 | In the present communication measurements of experimental density speed of sound and viscosity of binary liquid mixtures of 2 ethanol with dipropylamine diethylamine and triethylamine have been carried out within the temperature range of 298.15K308.15K with temperature interval of 5K . To study the intermolecular interactions present in these liquid mixtures parameters like excess molar volume | Binary mixtures of 2 2 butoxyethoxy ethanol with amine were investigated. Various excess and deviation properties were computed. Interactions present between unlike molecules were discussed. Redlich Kister polynomial was used for the correlation of excess properties. |
S0021961420300884 | Sound speed measurements in 42 ternary aqueous mixtures of ethanol plus 1 propanol and new measurements in the three binary mixtures composed by the three same components were made at | New sound speed data of the ternary water ethanol 1 propanol mixtures. Use of Cibulka equation to fit excess molar isentropic compressions. Higher impact of 1 propanol in the packing effect in the ternary mixture. 1 Propanol shifts the hydrophobic hydrophilic balance to the hydrophobic side. Transfer functions of the alcohols from the binary to the ternary mixtures. |
S0021961420300987 | Carbon dioxide solubility in non aqueous and aqueous mixtures of methyldiethanolamine with monoethylene glycol was studied due to the relevance of these solvents for the combined acid gas removal and hydrate control in natural gas treatment . Vapor liquid equilibrium measurements were conducted at temperatures from 303K to 393K and pressures up to 600kPa . In the aqueous solvents the effect of water content in carbon dioxide solubility was investigated . The absorption capacity of the aqueous solvents decreased with increasing glycol content and decreasing water content at constant amine concentration . A comparison of the studied systems with concentrated aqueous MDEA was also performed . The non aqueous solvents were studied in the whole composition range from pure MDEA to pure MEG . The solubility of carbon dioxide increased with increasing amine content only up to 3050wt MDEA MEG upon which it decreased . Water content determination and Nuclear Magnetic Resonance analysis were used for the chemical characterization of the systems and explanation of the results . It was found that in the presence of MDEA a chemical reaction occurs between carbon dioxide and MEG . A theory based on MEG autoprotolysis is proposed which is further supported by supplementary VLE data obtained in blends of MDEA and triethylene glycol . | Amine glycol blends for combined acid gas water removal in natural gas treatment. Non aqueous and aqueous methyldiethanolamine ethylene glycol are promising solvents. Carbon dioxide reacts chemically with both methyldiethanolamine and ethylene glycol. Demonstrated by vapor liquid equilibrium and nuclear magnetic resonance experiments. Hypothesis of ethylene glycol autoprotolysis in the presence of the amine. |
S0021961420301129 | Density viscosity and electrical conductivity are measured for the methanol and ethanol solutions of the ionic liquid 2 2 diethyl 1 1 3 3 tetramethylguanidinium bisimide TMG C | 2 2 Diethyl 1 1 3 3 tetramethylguanidinium bis trifluoromethylsulfonyl imide TMG C. NTf. ionic liquid is prepared. Density viscosity and electrical conductivity of dilute alcohol solutions of the IL are determined and discussed. Empirical models are applied to describe the physicochemical properties. Interactions between ions and alcohol molecules are discussed. Concentration of formation of ion pairs is determined. |
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