Showing papers in "Journal of Chemical & Engineering Data in 2009"
TL;DR: In this paper, it was shown that for a dilute solution of charged adsorbates or for a solution of uncharged adsorates at any concentration, the thermodynamic equilibrium constant of adsorption would be reasonably approximated by the Langmuir equilibrium constant.
Abstract: In the study of adsorption, changes in free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°) have been most frequently calculated from the Langmuir equilibrium constant. In a strict theoretical sense, the Langmuir equilibrium constant with units of liters per mole and the thermodynamic equilibrium constant without units are not the same. Moreover, the equilibrium constants for thermodynamic calculation have also been derived in different ways in the literature, for example, Frumkin isotherm, Flory−Huggins isotherm, distribution constants, and so on. As a result, values of ΔG°, ΔH°, and ΔS° of adsorption reported in the literature are very confusing. This study shows that for a dilute solution of charged adsorbates or for a solution of uncharged adsorbates at any concentration, the thermodynamic equilibrium constant of adsorption would be reasonably approximated by the Langmuir equilibrium constant, and thus the use of the Langmuir equilibrium constant for calculation of ΔG° and subsequent determination of ...
900 citations
TL;DR: In this article, the effect of the ionic liquid forming anion and cation on the physical properties is analyzed systematically and the density, viscosity, and surface tension data sets of 13 ionic liquids formed by imidazolium, pyrinium, or pyrrolidinium cations paired with dicyanamide (DCA−), tetrafluoroborate (BF4−), thiocyanate (SCN−), methylsulfate (MeSO4−) anions are reported.
Abstract: Density, viscosity, and surface tension data sets of 13 ionic liquids formed by imidazolium, pyridinium, or pyrrolidinium cations paired with dicyanamide (DCA−), tetrafluoroborate (BF4−), thiocyanate (SCN−), methylsulfate (MeSO4−), and trifluoroacetate (TFA−) anions are reported. The properties were measured at temperatures between (293 and 363) K. The effect of the ionic liquid forming anion and cation on the physical properties is analyzed systematically. As expected, the measured density, viscosity, and surface tension of the studied ionic liquids decreased with an increment in temperature. The density measurements were linearly correlated as a function of temperature, and the viscosities were fitted to a Vogel−Fulcher−Tamman equation. The density and surface tension data were used to estimate expansivity coefficients and surface thermodynamic properties of the ionic liquids. The physical properties are determined by the nature, size, and possible interactions of the ions forming the liquid. In general...
327 citations
TL;DR: In this article, an extensive laboratory program was conducted for the measurement of the interfacial tension between CO2 and water or brine covering the ranges of (2 to 27) MPa pressure, (20 to 125) °C temperature, and (0 to 334 mg·L−1 water salinity.
Abstract: An extensive laboratory program was conducted for the measurement of the interfacial tension between CO2 and water or brine covering the ranges of (2 to 27) MPa pressure, (20 to 125) °C temperature, and (0 to 334 010) mg·L−1 water salinity. The laboratory experiments were conducted using the pendant drop method combined with the solution of the Laplace equation for capillarity for the profile of the brine drop in the CO2−brine equilibrium environment. The analysis of the resulting set of 378 IFT measurements reveals that: (1) under conditions of constant temperature and water salinity, IFT steeply decreases with increasing pressure in the range P Pc with an asymptotic trend toward a constant value at higher pressures; (2) under the same conditions of constant pressure and temperature, IFT increases with increasing water salinity, reflecting decreasing CO2 solubility in brine as salinity increases; (3) the dependence of IFT on temperature is more complex than that on eithe...
293 citations
TL;DR: Adsorption isotherms for pure carbon dioxide and water vapor on 5A and 13X zeolite beads and silica gel granules are reported in this article, where all pure component equilibria are described well by Toth isotherm with parameters having temperature dependence.
Abstract: Adsorption isotherms are reported for pure carbon dioxide and water vapor on 5A and 13X zeolite beads and silica gel granules. These data were obtained using a volumetric method and cover the temperature ranges of (−45 to 175) °C for carbon dioxide and (0 to 100) °C for water. Also, pure carbon dioxide isotherms on silica gel at temperatures from (10 to 55) °C were measured using a gravimetric apparatus. All pure component equilibria are described well by Toth isotherms with parameters having temperature dependence. For carbon dioxide adsorption, zeolites 5A and 13X have similar loadings and show a much higher capacity than silica gel. However, for water vapor, zeolite 13X has a slightly higher capacity than zeolite 5A. Both zeolites have very good adsorption capacities for water vapor at low pressures but lose their advantages to silica gel when water pressures are high.
290 citations
TL;DR: In this article, an equation of state is presented for the thermodynamic properties of propane that is valid for temperatures from the triple point temperature (85.525 K) to 650 K and for pressures up to 1000 MPa.
Abstract: An equation of state is presented for the thermodynamic properties of propane that is valid for temperatures from the triple point temperature (85.525 K) to 650 K and for pressures up to 1000 MPa. The formulation can be used for the calculation of all thermodynamic properties, including density, heat capacity, speed of sound, energy, and saturation properties. Comparisons to available experimental data are given that establish the accuracy of calculated properties. The approximate uncertainties of properties calculated with the new equation are 0.01 % to 0.03 % in density below 350 K, 0.5 % in heat capacities, 0.03 % in the speed of sound between (260 and 420) K, and 0.02 % in vapor pressure above 180 K. Deviations in the critical region are higher for all properties except vapor pressure.
283 citations
TL;DR: In this article, the solubility of carbon dioxide (CO2) was measured in ionic liquids, such as 1-ethyl-3-methylimidazolium acetate ([emim][Ac]), 1-methyl-3methyloride trifluoroacetate (TFA), and a mixture containing a fixed mole ratio of 49.98/50.02.
Abstract: The solubility (vapor−liquid equilibria) of carbon dioxide (CO2) has been measured in ionic liquids, 1-ethyl-3-methylimidazolium acetate ([emim][Ac]), 1-ethyl-3-methylimidazolium trifluoroacetate ([emim][TFA]), and a mixture containing a fixed mole ratio of 49.98 ([emim][Ac])/50.02 ([emim][TFA]) using a gravimetric microbalance at three temperatures (298.1, 323.1, and 348.1) K and pressures up to about 2 MPa. The [emim][Ac] strongly (chemically) absorbed CO2 with hardly any vapor pressure above the mixture up to about 20 % mole fraction of CO2 at 298.1 K. The [emim][TFA] did not show the same behavior and physically absorbed CO2. The ionic liquid mixture containing equimolar amounts of [emim][Ac] and [emim][TFA] showed a combination of both chemical and physical effects, and the CO2 solubility was well predicted at a fixed pressure using either a molar average of the pure component solubilities or a model based on linear isobaric lines in the ternary phase diagram. The binary pressure−temperature (PTx) da...
276 citations
TL;DR: In this article, the conductivity of selected binary mixtures of the ionic liquids with polar solvents (water, propylene carbonate, dimethylsulfoxide, methanol, dichloromethane) at 25 °C were reported.
Abstract: Data for the conductivity, κ, of selected binary mixtures of the ionic liquids [emim][BF4], [bmim][BF4], [bmim][PF6], [bmim][DCA], and [hmim][BF4] with polar solvents (water, propylene carbonate, dimethylsulfoxide, methanol, dichloromethane) at 25 °C are reported. Additionally, mixture densities, ρ, were determined to convert κ into molar conductivity, Λ. The obtained results were fitted by appropriate interpolation formulas. Where possible, data were compared with information from the literature. Electrode polarization and sample purity, including [BF4−] hydrolysis, were considered as possible sources of errors in κ. The effect of viscosity on the accuracy of ρ and thus Λ was checked.
263 citations
TL;DR: In this paper, densities and dynamic viscosities in liquid solutions of monoethanolamine (MEA), water, and carbon dioxide (CO2) have been measured, and the results show that the densities increase significantly with increasing CO2 loading at all temperatures.
Abstract: Densities and dynamic viscosities in liquid solutions of monoethanolamine (MEA), water, and carbon dioxide (CO2) have been measured. The mass fraction of MEA in water was (20, 30, and 40) %, and CO2 loading was between (0 and 0.5) mol CO2 per mole MEA; the temperature was varied between (25 and 80) °C. These measurements were compared with literature data of solutions without CO2 and with data for CO2 loaded solutions primarily at 25 °C. The results show that the densities and viscosities increase significantly with increasing CO2 loading at all temperatures. The measured data for the ternary system were compared with available density and viscosity correlations from Weiland et al. J. Chem. Eng. Data 1998, 43, 378−382. Agreement between the measurements and the Weiland correlations was satisfactory. The deviation increases with increased MEA concentration, CO2 loading, and temperature.
224 citations
TL;DR: In this article, the solubility of hydrogen sulfide in three ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF 6 ]), 1- butyl- 3methyloride tetrafluoroborate (BF 4 ]), and 1butyl 3-methylide bis(trifluoromethylsulfonyl)imide (Tf 2 N), at temperatures ranging from (303.15 to 343.15) K and pressures up to 1
Abstract: The solubility of hydrogen sulfide in three ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF 6 ]), 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF 4 ]), and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim][Tf 2 N]), at temperatures ranging from (303.15 to 343.15) K and pressures up to 1 MPa was determined. The solubility data were correlated using the Krichevsky― Kasamovsky equation, and Henry's law constants at different temperatures were obtained. From the solubility data, the partial molar thermodynamic functions of solution such as Gibbs energy, enthalpy, and entropy were calculated. Comparison showed that the solubility of H 2 S in these three ionic liquids was in sequence: [bmim][Tf 2 N] > [bmim][BF 4 ] > [bmim][PF 6 ].
203 citations
TL;DR: In this paper, a natural wheat straw was used as an adsorbent for removal of copper and methylene blue (MB) from aqueous solution and a batch system was applied to study the behavior of Cu2+ and MB adsorption in single and binary systems on wheat straw.
Abstract: A natural wheat straw was used as adsorbent for removal of copper and methylene blue (MB) from aqueous solution. A batch system was applied to study the behavior of Cu2+ and MB adsorption in single and binary systems on wheat straw. In the single systems, there was no significant difference in the quantity of MB adsorbed onto wheat straw within a pH range of 4.0 to 10.0. But for Cu2+, the optimal pH is about 5. Kinetic studies indicate that Cu2+ and MB adsorption on the wheat straw follows the Elovich equation. The Cu2+ adsorption isotherm follows the Langmuir and Redlich−Peterson models, while MB adsorption follows the Redlich−Peterson isotherm. The adsorption capacities of Cu2+ and MB at 273 K and pH 5 are (7.05 and 60.66) mg·g−1, respectively. In the binary system, Cu2+ and MB exhibited competitive adsorption. The adsorption of Cu2+ or MB is considerably reduced with an increasing concentration of the other. The quantity of Cu2+ adsorbed is more strongly influenced by MB due to the higher affinity of w...
170 citations
TL;DR: In this paper, the dissociation constants of six cyclic diamines were calculated using the potentiometric titration method at (298, 303, 313, and 323) K. The pKa values of piperazine were compared with published data to validate the procedure used.
Abstract: The dissociation constants of the conjugate acids of six cyclic diamines [piperazine, 1-methylpiperazine, 2-methylpiperazine, 1-ethylpiperazine, 1-(2-hydroxyethyl)piperazine, and 1,4-dimethylpiperazine] were calculated using the potentiometric titration method at (298, 303, 313, and 323) K. The pKa values of piperazine were compared with published data to validate the procedure used. The thermodynamic quantities (ΔH° and ΔS°) for the dissociation processes were determined using the van’t Hoff equation. A trend is proposed related to the variation of the pKa with the addition of different radical groups to the base piperazine molecule.
TL;DR: In this article, the dissociation temperature of cyclopentane (CP) + CO2 hydrates was measured by using a high-pressure MicroDSC, with dissociation temperatures ranging from 2.7 to 11.1 MPa.
Abstract: Cyclopentane (CP) forms sII hydrates, in which CP only occupies the large cavities. Small gas molecules such as hydrogen and carbon dioxide can be encaged in the small cavities. However, there are no reported data on the equilibrium conditions of CP + H2 and CP + CO2 binary hydrates, which are essential to developing CO2 capturing or H2 enriching processes. In this study, the dissociation temperature of CP + H2 hydrate pressures ranging from (2.7 to 11.1) MPa and CP + CO2 hydrates at pressures of (0.89 to 3.51) MPa was measured by using a high-pressure MicroDSC.
TL;DR: In this paper, the effect of temperature on phase-forming ability in the investigated system has also been studied on the basis of a salting-out coefficient obtained from fitting the tie-line data to a Setschenow-type equation for each temperature.
Abstract: Liquid−liquid equilibria (LLE) for the aqueous 1-butyl-3-methylimidazolium bromide ([C4mim]Br) + tri-potassium citrate system have been experimentally determined at T = (278.15, 298.15, and 318.15) K. An empirical nonlinear expression developed by Merchuk was used for reproducing the experimental binodal data. In this work, the three fitting parameters of the Merchuk equation were obtained with the temperature dependence expressed in the linear form with (T − T0) K as a variable. The effect of temperature on the phase-forming ability in the investigated system has also been studied on the basis of a salting-out coefficient obtained from fitting the tie-line data to a Setschenow-type equation for each temperature. The values of the salting-out coefficients may reflect the extent of the preferential hydration of the ionic liquid. Furthermore, the kosmotropicity of tri-potassium citrate for the exclusion of [C4mim][Br] in an aqueous solution has been examined in comparison with the previously studied kosmotr...
TL;DR: In this article, the first and second dissociation constants of piperazine and hydroxyethylpiperazine were determined by electromotive force measurements from (293 to 353) K. The experimental results and derived values of the standard state thermodynamic properties are reported and compared to available literature values.
Abstract: The dissociation constants of protonated 2-amino-2-ethyl-1,3-propanediol, 2-amino-2-methyl-1-propanol, diethylmonoethanolamine, diisopropanolamine, dimethylmonoethanolamine, monoethanolamine, 1-amino-2-propanol, methylmonoethanolamine, triethanolamine, and the first and the second dissociation constants of piperazine and hydroxyethylpiperazine have been determined by electromotive force measurements from (293 to 353) K. The dissociation constants of protonated triethylamine have been determined with the same technique from (293 to 333) K. The experimental results and derived values of the standard state thermodynamic properties are reported and compared to available literature values.
TL;DR: In this paper, Caudwell et al. reported the results of simultaneous measurements of the viscosity and density of five pure hydrocarbon liquids (octane, decane, 1,3-dimethylbenzene, 1 2,3,4-tetrahydronaphthalene, and 1-methylnaphalene) at temperatures between (298.15 and 473.15) K and at pressures ranging from 0.1 MPa to approximately 200 MPa.
Abstract: We report the results of simultaneous measurements of the viscosity and density of five pure hydrocarbon liquids (octane, decane, 1,3-dimethylbenzene, 1,2,3,4-tetrahydronaphthalene, and 1-methylnaphthalene) at temperatures between (298.15 and 473.15) K and at pressures ranging from 0.1 MPa to approximately 200 MPa. The measurements were made with a vibrating-wire instrument, and the estimated expanded relative uncertainties are ± 2 % for viscosity and ± 0.2 % for density with a coverage factor of 2. The densities were correlated by means of a modified Tait equation, while the viscosities were correlated both with the theory of Dymond and Assael and in terms of an empirical function of temperature and pressure. We also present correlations of the viscosity of dodecane and octadecane based on results that we published previously [Caudwell et al. Int. J. Thermophys. 2004, 25, 1340−1352]. Extensive comparisons with literature data are presented.
TL;DR: In this paper, the densities of reline with different varying mole fractions of water at temperatures of (303, 308, and 313) K were reported, and the logarithms of Henry's law constants were correlated using the two-suffix Margules model.
Abstract: In this study, the densities of (aminomethanamide + 2-hydroxy-N,N,N-trimethylethanaminium chloride + water) and the solubilities of CO2 in (aminomethanamide + 2-hydroxy-N,N,N-trimethylethanaminium chloride) with different varying mole fractions of water at temperatures of (303, 308, and 313) K are reported. The common name for (aminomethanamide + 2-hydroxy-N,N,N-trimethylethanaminium chloride) is reline. The densities are linear (AAD % is 0.22 %) with respect to reline mass fraction at each temperature. The logarithms of Henry’s law constants were correlated using the two-suffix Margules model as a function of reline mole fraction with an AAD of 3.44 %. The results showed that CO2 solubility in reline decrease with an increase water content. Hence water can serve as an antisolvent to strip CO2 dissolved in reline. The absorption of CO2 in (aminomethanamide + 2-hydroxy-N,N,N-trimethylethanaminium chloride + water) at low pressures is found to be endothermic at water content. However, the absorption becomes...
TL;DR: The high pressure phase behavior of the binary system CO2 + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide was determined experimentally by a synthetic method as mentioned in this paper.
Abstract: The high-pressure phase behavior of the binary system CO2 + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide was determined experimentally by a synthetic method. Bubble points were measured for mixtures of various carbon dioxide concentrations within a temperature and pressure range of (310 to 450) K and (0.5 to 14) MPa, respectively. The results were compared with solubility data obtained by three other research laboratories using different phase equilibria measuring techniques, and good agreement was observed in every case. The effect of the cation alkyl chain length was also investigated by comparing CO2 solubility in four homologous members of the 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide family in which the alkyl was either ethyl, butyl, hexyl, or octyl. It was shown that CO2 solubility increases almost linearly with increasing alkyl chain length.
TL;DR: In this article, the Tait equation was used to calculate the thermal expansion coefficients of ionic liquids with pure component pressure-volume-temperature (pVT) data for five imidazolium-based ionic liquid types.
Abstract: Pure component pressure−volume−temperature (pVT) data for five imidazolium-based ionic liquids, 1-ethyl-3-methylimidazolium hexafluorophosphate [emim][PF6], 1-hexyl-3-methylimidazolium hexafluorophosphate [hmim][PF6], 1-octyl-3-methylimidazolium hexafluorophosphate [omim][PF6], 1-ethyl-3-methylimidazolium tetrafluoroborate [emim][BF4], and 1-hexyl-3-methylimidazolium tetrafluoroborate [hmim][BF4], were measured with a bellows type apparatus. High-pressure densities of ionic liquids showed smooth trends with temperature and pressure variations except for [emim][PF6] which exhibited a solid phase transition at temperatures below 352.7 K and which solidified at 100 MPa at 352.7 K. Solid densities were measured and were about 6.3 % higher than those of the liquid. Isothermal compressibilities and thermal expansion coefficients were calculated from the Tait equation that was fit to the pVT data. Isothermal compressibilities increased with alkyl chain length which is probably related to the ionic liquid free vo...
TL;DR: In this article, the authors measured the densities and viscosities for the methyl methacrylate (MMA) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) ionic liquid binary system, over the whole concentration range in the temperature range from (283.15 to 353.15) K.
Abstract: Densities and viscosities for the methyl methacrylate (MMA) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) ionic liquid binary system, over the whole concentration range in the temperature range from (283.15 to 353.15) K, were measured by using an Anton Paar DMA 5000 densimeter and an Anton Paar AMVn Measuring Assembly, respectively. The excess molar volumes VE were calculated by using the measured experimental densities and correlated by the Redlich−Kister type equation. The correlation results are in good agreement with the experimental data, and optimal fitting parameters are present. All the VE values within the scope of research are negative and become more and more negative with increasing temperature.
TL;DR: In this paper, the binary and ternary systems of the FeIII metal ion with gallic acid and glycine were investigated by means of potentiometry, conductometry, polarography, and UV−visible absorption spectroscopy techniques at 25 °C and in I = 0.10 mol·dm−3 NaNO3.
Abstract: In this work, formation in the binary and ternary systems of the FeIII metal ion with gallic acid and glycine was investigated by means of potentiometry, conductometry, polarography, and UV−visible absorption spectroscopy techniques at 25 °C and in I = 0.10 mol·dm−3 NaNO3. The protonation equilibria of gallic acid and glycine were investigated and discussed. The acidity constants of gallic acid and glycine were determined and used for determining the stability constants of the binary and ternary complexes formed in the aqueous medium under the experimental conditions. The ternary complex formation was found to occur in a stepwise manner. The stability constants of these binary and ternary systems were calculated. The concentration distribution of the various complex species in solution was evaluated and discussed. The solid binary [FeIII−gallic acid] and ternary [FeIII−gallic acid−glycine] complexes were synthesized and characterized by elemental analysis, FT-IR, 1H NMR, and 13C NMR spectroscopy.
TL;DR: In this article, the viscosity, interfacial tension, density, and refractive index of ionic liquids (ILs) [EMIM][EtSO4] were investigated.
Abstract: This work represents a continuation of former investigations, where viscosity, interfacial tension, density, and refractive index of ionic liquids (ILs) [EMIM][EtSO4] (1-ethyl-3-methylimidazolium ethylsulfate), [EMIM][NTf2] (1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide), [EMIM][N(CN)2] (1-ethyl-3-methylimidazolium dicyanamide), and [OMA][NTf2] (trioctylmethylammonium bis(trifluoromethylsulfonyl)imide) were studied. Here, the ILs [EMIM][MeSO3] (1-ethyl-3-methylimidazolium methanesulfonate), [EMIM][MeOHPO2] (1-ethyl-3-methylimidazolium methylphosphonate), [EMIM][OcSO4] (1-ethyl-3-methylimidazolium octylsulfate), and [BBIM][NTf2] (1-butyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide) were investigated again both by conventional techniques and by surface light scattering (SLS). An Abbe refractometer was used for the measurement of the refractive index in the range of (283.15 to 313.15) K with an expanded uncertainty (k = 2) of about 0.0005. The density was measured between (273.15 and...
TL;DR: In this article, the effect of the uncertainty of thermophysical data of ionic liquids (density, heat capacity, thermal conductivity, and viscosity) in the design of some current equipment, used in processes as solvents or heat transfer fluids, was analyzed.
Abstract: It has been proved in the past, with common liquids, that the values of their thermophysical properties have a significant effect on the design of physicochemical processing and reaction units, influencing directly the design parameters and performance of equipment like heat exchangers, distillation columns, and reactors. In this paper we have analyzed the effect of the uncertainty of thermophysical data of ionic liquids (density, heat capacity, thermal conductivity, and viscosity) in the design of some current equipment, used in processes as solvents or heat transfer fluids. Data have been collected from the IL Thermo database for alkylmethylimidazolium (Cnmim) liquids, with [BF4] and [PF6] anions. Results obtained show that the influence of actual errors in the thermophysical properties of ionic liquids can render any future design as not working or excessively costing. Moreover, the heat storage capacity of these ionic liquids has been analyzed, and it is possible to consider them as possible replaceme...
TL;DR: In this paper, the surface tension and viscosity of two imidazolium-based ionic liquids, 1-ethanol-3-methylimidazolate tetrafluoroborate [C2OHMIM][BF4] and 1-methyl-3 -octylimide-naphroxymethylamidazole (OMIM)-tetrafluoric acid [BF4], were investigated.
Abstract: Room-temperature ionic liquids based on the imidazolium cation are presently widely studied, but more data on important properties such as viscosity and surface tension are required. In this work, two imidazolium-based ionic liquids, 1-ethanol-3-methylimidazolium tetrafluoroborate [C2OHMIM][BF4] and 1-methyl-3-octylimidazolium tetrafluoroborate [OMIM][BF4], were investigated. The former is a member of a new series that contains the alcohol (CH2)2OH as a functional group. The latter, already studied by several authors, has a long side chain in the imidazolium ring that is responsible for its surfactant properties. The surface tension was determined using the pendant drop technique in a wide temperature range, (298 to 470) K, which has never been explored before with ILs. The viscosity was measured using a new technique (a quartz crystal microbalance) between (288 and 328) K. The surface tension and the viscosity of [C2OHMIM][BF4] are unexpectedly high when compared with those of [OMIM][BF4]. The experiment...
TL;DR: In this article, a commercial densimeter and viscometer were used to measure the density and viscosity of aqueous solutions of trimipramine maleate and notriptyline hydrochloride.
Abstract: Notriptyline hydrochloride and trimipramine maleate are used as antidepressants and analgesics. The density and viscosity of the aqueous solutions of these compounds are measured in a range of molality, m = (9.7·10−6 to 32.5·10−6) mol·g−1, at T = (293.15 to 313.15) K using a commercial densimeter and viscometer. The apparent molar volume (Vϕ), partial molar volume (Vm0), partial molar expansivity (E20), thermal expansion coefficient (α2), and Hepler’s constant (∂2Vm0/∂T2) are calculated from the density data. The values of the B-coefficient and hydration number (Hn) are computed from the viscosity data.
TL;DR: Micellization behavior of three alkyltrimethylammonium bromides (CTAB, TTAB, and DTAB) in ethylene glycol (EG) was investigated in this paper.
Abstract: Micellization behavior of three alkyltrimethylammonium bromides, viz., hexadecyl-, tetradecyl-, and dodecyltrimethylammonium bromide (CTAB, TTAB, and DTAB, respectively) in ethylene glycol (EG) (1)...
TL;DR: In this paper, the authors evaluate the predictive capability of COSMOthermX through a comparison with literature data obtained from the IUPAC database which contains data for 15 gases in 27 ionic liquids.
Abstract: As the range of available ionic liquids increases, methods by which important engineering parameters such as gas solubilities can be estimated from simple structural information become ever more desirable. COSMO-based thermodynamic models, such as that used by COSMOthermX, allow the determination of such data for pure and mixed component systems. Herein, we evaluate the predictive capability of COSMOthermX through a comparison with literature data obtained from the IUPAC database which contains data for 15 gases in 27 ionic liquids. To determine any effect inherent to ionic liquids, gas solubility predictions were first performed for selected molecular solvents at constant temperature and pressure. Further estimations of gas solubility at temperatures ranging from (278 to 368) K at 0.1 MPa in water were performed for 14 gases. The study has demonstrated that COSMOthermX is capable of predicting, qualitatively, gas solubilities in ionic liquids and, hence, reducing the amount of unnecessary experimental me...
TL;DR: In this article, the vapor pressure of four lower alkyl phosphonate compounds, including dimethyl methylphosphonate (DMHP), was measured using complementary methods that allow data collection at ambient and high temperatures by using gas saturation and differential scanning calorimetry.
Abstract: The vapor pressures of four lower alkyl phosphonate compounds, dimethyl phosphonate (DMHP, CAS 868-85-9), dimethyl methylphosphonate (DMMP, CAS 756-79-6), diethyl methylphosphonate (DEMP, CAS 683-08-9), and diisopropyl methylphosphonate (DIMP, CAS 1445-75-6), have been measured by complementary methods that allow data collection at ambient and high temperatures by use of gas saturation and differential scanning calorimetry, respectively. Kosolapoff (J. Chem. Soc. 1955, 2964−2965) reported vapor pressure data above 200 Pa for several of these compounds measured by use of isoteniscope, although the lowest data points were deemed to be “not trustworthy” by the author. Our report extends the low end of the measured data range by 2 to 3 orders of magnitude in pressure. Antoine correlations, normal boiling temperatures, temperature-dependent enthalpies of vaporization, and volatility have been derived based on the measured data reported herein. The advantages of using complementary methodology and measuring, as...
TL;DR: In this article, the experimental solubilities of three benzodiazepines (chlordiazepoxide, diazepam, and lorazepam) in ethanol + water mixtures at 303.2 K were reported.
Abstract: Experimental solubilities of three benzodiazepines (chlordiazepoxide, diazepam, and lorazepam) in ethanol + water mixtures at 303.2 K are reported. The solubility of drugs was increased with the addition of ethanol and reached the maximum value of a volume fraction of 90 % of ethanol. The Jouyban-Acree model was used to fit the experimental data, and the solubilities were reproduced using previously trained version of the Jouyban-Acree model and the solubility data in monosolvents in which the overall mean relative deviations (OMRDs) of the models were 8.6 %, 21.9 % and 19.3 %, respectively, for the fitted model, the trained version for ethanol + water mixtures and generally trained version for various organic solvents + water mixtures.
TL;DR: In this article, the authors measured the adsorption equilibria and kinetics on zeolite 5A, 13X, MoF-5, and MOF-177 at (298, 237, and 194.5) K and carbon monoxide pressures up to 108 kPa.
Abstract: Carbon monoxide adsorption equilibria and kinetics on zeolite 5A, 13X, MOF-5, and MOF-177 were measured volumetrically at (298, 237, and 194.5) K and carbon monoxide pressures up to 108 kPa. It was found that zeolite 5A had the highest adsorption capacity at ambient temperature (298 K) and ambient pressure (108 kPa), whereas MOF-177 was a better adsorbent at (194.5 and 237) K. Both the Langmuir and Freundlich isotherm models were used to correlate the adsorption isotherms. Diffusivities of carbon monoxide in these adsorbents were estimated from the adsorption uptake curves by a micropore diffusion model. The average carbon monoxide diffusivities at 298 K and carbon monoxide pressures below 108 kPa are 3.42·10−11 m2·s−1, 1.40·10−11 m2·s−1, 1.72·10−8 m2·s−1, and 5.01·10−9 m2·s−1 for zeolite 5A, 13X, MOF-5, and MOF-177, respectively. The heat of adsorption of carbon monoxide at low coverage on zeolite 5A and 13X is below 70 kJ·mol−1 and drops rapidly as the coverage increases, while the heat of adsorption of...
TL;DR: In this article, a new and effective route for the recovery of hydrophilic IL using [Amim]Cl + salt + water ABS from aqueous solutions was proposed.
Abstract: In this study, binodal curves and tie line data of [Amim]Cl + salt (K3PO4, K2HPO4, K2CO3) + water aqueous biphasic systems (ABS) were measured and correlated satisfactorily with the Merchuk equation and Othmer−Tobias and Bancroft equations, respectively. [Amim]Cl could be recovered from aqueous solutions using the ABS, and the recovery efficiency could reach 96.80 %. The recovery efficiency was influenced by the concentrations of the salts and their Homeister series: K3PO4 > K2HPO4 > K2CO3. Our method provides a new and effective route for the recovery of hydrophilic IL using [Amim]Cl + salt + water ABS from aqueous solutions.