The thermodynamic properties of the most important NaOH-NaAI（OH）4-H20 system in Bayer process for alumina production were investigated. A theoretical model for calculating the equilibrium constant of gibbsite dissol...The thermodynamic properties of the most important NaOH-NaAI（OH）4-H20 system in Bayer process for alumina production were investigated. A theoretical model for calculating the equilibrium constant of gibbsite dissolved in sodium hydroxide solution was proposed. New Pitzer model parameters and mixing parameters for the system NaOH-NaAI（OH）4-H20 were yielded and tested in the temperature range of 298.15-373.15 K. The results show that the proposed model for calculating the equilibrium constant of gibbsite dissolution is applicable and accurate. The obtained Pitzer model parameters of β（0）（NaAl（OH）4）、β（1）（NaAl（OH）4）和CΦ（NaAl（OH）4）,Al（OH）4 for NaAI（OH）4, the binary mixing parameter of θ（OH-Al（OH）4-） with OH-, and the ternary mixing parameter of ψ（Na＋OH-Al（OH）4-） for AI（OH）4- with OH- and Na＋ are temperature-dependent. The prediction of the equilibrium solubility of gibbsite dissolved in sodium hydroxide solution was feasible in the temperature range of 298.15-373.15 K.展开更多
In this article VLE data for a ternary system (propylene-methanol-water) under 30～60 C,0. 3～0. 9 MPa with a mass ratio of methanol to water of 9:1, 8: 2, 7: 3 were determined with a static equilibrium still, and wer...In this article VLE data for a ternary system (propylene-methanol-water) under 30～60 C,0. 3～0. 9 MPa with a mass ratio of methanol to water of 9:1, 8: 2, 7: 3 were determined with a static equilibrium still, and were correlated by using Peng-Robinson model. The average relative error ofpropylene concentration in liquid phase is 1. 46 %. The results indicate that the models are very suitablefor the ternary system and the data are reliable.展开更多
A new separation method, reactive extractive distillation, was put forward for separating water and acetic acid. The separation mechanism was analyzed through infrared spectra technique. Isobaric vapor-liquid equilibr...A new separation method, reactive extractive distillation, was put forward for separating water and acetic acid. The separation mechanism was analyzed through infrared spectra technique. Isobaric vapor-liquid equilibrium (VLE) data at 101.33 kPa for the binary or ternary systems consisting of water, acetic acid and tributylamine were measured. The activity coefficients were correlated by using Wilson, NRTL, and UNIQUAC Equations.The VLE experiment showed that tributylamine could enhance the relative volatility of water to acetic acid. An extractive distillation experiment was carried out and proved that tributylamine was a good extractive solvent.展开更多
In an equilibrium vessel,the solid-liquid equilibria(SLE) for three binary mixtures of phenyl salicylate with 1-butanol,2-butanol,and 2-methyl-1-propanol,respectively,have been measured from 283.15 K to the melting te...In an equilibrium vessel,the solid-liquid equilibria(SLE) for three binary mixtures of phenyl salicylate with 1-butanol,2-butanol,and 2-methyl-1-propanol,respectively,have been measured from 283.15 K to the melting temperature of the solute using a method in which an excess amount of solute was equilibrated with the alcohol solution.The liquid concentrations of the investigated phenyl salicylate in the saturated solution were analyzed by UV spectrometry.Activity coefficients for phenyl salicylate have been calculated by means of the Wilson,NRTL,and UNIQUAC equations and with them were correlated solubility data that were compared with the experimental ones.The best correlation of the solubility data has been obtained by the Wilson equation by which the average root-mean-square deviation of temperature for the three systems is 1.03 K.展开更多
The adsorption of sulfate in aqueous solutions onto organo-nano-clay prepared by natural zeolite and cationic surfactant cetyltrimethylammonium bromide （CTAB） was studied.Parameters such as adsorbent dosage,contact ...The adsorption of sulfate in aqueous solutions onto organo-nano-clay prepared by natural zeolite and cationic surfactant cetyltrimethylammonium bromide （CTAB） was studied.Parameters such as adsorbent dosage,contact time and temperature were investigated using batch adsorption studies.The results show that the uptake of sulfate increases with the increase of contact time and temperature,and decreases with the increase of dosage.The Freundlich isotherm model is fit to explain the sulfate adsorption onto organo-nano-clay.The maximum adsorption capacity is found to be 38.02 mg/g at 40 ℃.The kinetic data fit well the pseudo-second-order and Elovich models with a R2 more than 0.98.It is suggested that chemisorption is the rate-controlling step for adsorption of sulfate onto organo-nano-clay,meanwhile both intraparticle diffusion and boundary layer diffusion also contribute as well.Ion-exchange between sulfate anions and bromide ions and complexation between sulfate anions and CTAB cations are responsible for the mechanism of sulfate adsorption.Keywords：organo-nano-clay; cetyltrimethylammonium bromide （CTAB）; modification; sulfate; adsorption展开更多
The solubilities of the quinary system Na^＋ ,K^＋ ,Mg^2＋ //Cl ,NO 3 ^-H2O and its two quaternary subsystems, Na^＋ ,K^＋ ,Mg^2＋ //NO 3 -H2O and K^ ＋ ,Mg ^2＋ //Cl ,NO 3 ^-H2O,were studied by isothermal method at 2...The solubilities of the quinary system Na^＋ ,K^＋ ,Mg^2＋ //Cl ,NO 3 ^-H2O and its two quaternary subsystems, Na^＋ ,K^＋ ,Mg^2＋ //NO 3 -H2O and K^ ＋ ,Mg ^2＋ //Cl ,NO 3 ^-H2O,were studied by isothermal method at 25°C and their phase diagrams were plotted.In the equilibrium phase diagram of quaternary system Na^ ＋ ,K^ ＋ ,Mg ^2＋ //NO 3 ^-H2O, there are one invariant point,three univariant curves and three regions of crystallization with one salt：NaNO3, KNO3 and Mg（NO3）2·6H2O.In the equilibrium phase diagram of quaternary system K ^＋ ,Mg ^2＋ //Cl ,NO 3 ^-H2O,there are three invariant points,seven univariant curves and five regions of crystallization with one salt：KNO3,KCl, Mg（NO3）2·6H2O,MgCl2·6H2O and KCl·MgCl2·6H2O.In the equilibrium phase diagram of the quinary system Na ^＋ , K^ ＋ ,Mg ^2＋ //Cl ,NO 3^ -H2O,there are four invariant points,and seven regions of crystallization with one salt：NaCl, KCl,NaNO3,KCl·MgCl2·6H2O,KNO3,MgCl2·6H2O and Mg（NO3）2·6H2O.展开更多
The adsorption equilibrium of a fluoride solution on 1-2 mm granular activated alumina modified by Fe2(SO4)3 solution was investigated.The experiments were conducted using a wide range of initial fluoride concentratio...The adsorption equilibrium of a fluoride solution on 1-2 mm granular activated alumina modified by Fe2(SO4)3 solution was investigated.The experiments were conducted using a wide range of initial fluoride concentrations(0.5 to 180 mg·L-1 at pH～7.0) and an adsorbent dose of 1.0 g·L-1.The application of Langmuir and Freundlich adsorption isotherm models(linear and nonlinear forms) generally showed that a single Langmuir or Freundlich equation cannot fit the entire concentration gap.Experimental data on low equilibrium concentrations(0.1 to 5.0 mg·L-1) was in line with both Langmuir and Freundlich isotherm models,whereas that of high equilibrium concentrations(5.0 to 150 mg·L-1) was more in line with the Freundlich isotherm model.A new LangmuirFreundlich function was used for the entire concentration gap,as well as for low and high concentrations.展开更多
A general CFD-PBE(computational fluid dynamics-population balance equation) solver for gas–liquid poly-dispersed flows of both low and high gas volume fractions is developed in OpenFOAM(open-source field operation an...A general CFD-PBE(computational fluid dynamics-population balance equation) solver for gas–liquid poly-dispersed flows of both low and high gas volume fractions is developed in OpenFOAM(open-source field operation and manipulation) in this work. Implementation of this solver in OpenFOAM is illustrated in detail. The PBE is solved with the cell average technique. The coupling between pressure and velocity is dealt with the transient PIMPLE algorithm, which is a merged PISO-SIMPLE(pressure implicit split operator-semi-implicit method for pressure-linked equations) algorithm. Results show generally good agreement with the published experimental data, whereas the modeling precision could be improved further with more sophisticated closure models for interfacial forces, the models for the bubble-induced turbulence and those for bubble coalescence and breakage.The results also indicate that the PBE could be solved out the PIMPLE loop to save much computation time while still preserving the time information on variables. This is important for CFD-PBE modeling of many actual gas–liquid problems, which are commonly high-turbulent flows with intrinsic transient and 3 D characteristics.展开更多
In order to obtain solubility data of propylene in 2-butanol+water solutions, gas-liquid equilibrium(GLE) experiment was carried out at 303.15--333.15 K, 0.3-1.2 MPa with static equilibrium still. Original mass ratios...In order to obtain solubility data of propylene in 2-butanol+water solutions, gas-liquid equilibrium(GLE) experiment was carried out at 303.15--333.15 K, 0.3-1.2 MPa with static equilibrium still. Original mass ratios of 2-butanol to water are 1:0，9:1,8:2 and 7:3, respectively. The equilibrium data are correlated with an empirical correlation. The average relative deviation (ARD) between experimental and calculated values is 2.15%,and the maximum relative deviation (MRD) is less than 5%.展开更多
In order to obtain the solubility data of propylene in 2-propanol-water solutions, gas-liquid equilibrium (GLE) experiments were carried out at 303.15-333.15 K, 0.27-0.98 MPa in a static equilibrium still. The origina...In order to obtain the solubility data of propylene in 2-propanol-water solutions, gas-liquid equilibrium (GLE) experiments were carried out at 303.15-333.15 K, 0.27-0.98 MPa in a static equilibrium still. The original mass ratio of 2-propanol to water was 9∶1,8∶2,7∶3,1∶0, respectively. The equilibrium data were correlated with an empirical model and the regression of model parameters was completed by Gauss-Newton nonlinear least square (NLS). The average relative deviation (ARD) between the experimental and calculated value is 1.570 0, and the maximum relative deviation (MRD) is 4.820 0. In addition, a simple approach that correlated the model parameters with the system composition was also provided.展开更多
The adsorption onto bentonite of three heavy metals often found in industrial effluents （chromium, iron ana zinc） was studied. The kinetic equilibrium data show that the bentonite fixes more chromium（VI） than iron...The adsorption onto bentonite of three heavy metals often found in industrial effluents （chromium, iron ana zinc） was studied. The kinetic equilibrium data show that the bentonite fixes more chromium（VI） than iron（II） and zinc（II）. The adsorption capacities of heavy metals in equilibrium with the bentonite are influenced by the stirring speed and environment temperature. The thermodynamic parameters obtained indicate that the adsorption of heavy metals onto bentonite is a spontaneous and exothermic process.展开更多
This paper presents an extension of the procedure developed in the case of water-alkane binaries to mixtures of water and benzene or toluene or xylene or ethylbenzene or diethylbenzene. The method used to calculate th...This paper presents an extension of the procedure developed in the case of water-alkane binaries to mixtures of water and benzene or toluene or xylene or ethylbenzene or diethylbenzene. The method used to calculate the equilibria is baized on the Peng-Robinson cubic equation of state modified as regards the coefficient α(Tr) and on the use of a binary interaction coefficient Kiw specific to binaries containing water.展开更多
基金Project (2005CB6237) supported by the National Basic Research Program of China
文摘The thermodynamic properties of the most important NaOH-NaAI（OH）4-H20 system in Bayer process for alumina production were investigated. A theoretical model for calculating the equilibrium constant of gibbsite dissolved in sodium hydroxide solution was proposed. New Pitzer model parameters and mixing parameters for the system NaOH-NaAI（OH）4-H20 were yielded and tested in the temperature range of 298.15-373.15 K. The results show that the proposed model for calculating the equilibrium constant of gibbsite dissolution is applicable and accurate. The obtained Pitzer model parameters of β（0）（NaAl（OH）4）、β（1）（NaAl（OH）4）和CΦ（NaAl（OH）4）,Al（OH）4 for NaAI（OH）4, the binary mixing parameter of θ（OH-Al（OH）4-） with OH-, and the ternary mixing parameter of ψ（Na＋OH-Al（OH）4-） for AI（OH）4- with OH- and Na＋ are temperature-dependent. The prediction of the equilibrium solubility of gibbsite dissolved in sodium hydroxide solution was feasible in the temperature range of 298.15-373.15 K.
文摘In this article VLE data for a ternary system (propylene-methanol-water) under 30～60 C,0. 3～0. 9 MPa with a mass ratio of methanol to water of 9:1, 8: 2, 7: 3 were determined with a static equilibrium still, and were correlated by using Peng-Robinson model. The average relative error ofpropylene concentration in liquid phase is 1. 46 %. The results indicate that the models are very suitablefor the ternary system and the data are reliable.
文摘A new separation method, reactive extractive distillation, was put forward for separating water and acetic acid. The separation mechanism was analyzed through infrared spectra technique. Isobaric vapor-liquid equilibrium (VLE) data at 101.33 kPa for the binary or ternary systems consisting of water, acetic acid and tributylamine were measured. The activity coefficients were correlated by using Wilson, NRTL, and UNIQUAC Equations.The VLE experiment showed that tributylamine could enhance the relative volatility of water to acetic acid. An extractive distillation experiment was carried out and proved that tributylamine was a good extractive solvent.
文摘In an equilibrium vessel,the solid-liquid equilibria(SLE) for three binary mixtures of phenyl salicylate with 1-butanol,2-butanol,and 2-methyl-1-propanol,respectively,have been measured from 283.15 K to the melting temperature of the solute using a method in which an excess amount of solute was equilibrated with the alcohol solution.The liquid concentrations of the investigated phenyl salicylate in the saturated solution were analyzed by UV spectrometry.Activity coefficients for phenyl salicylate have been calculated by means of the Wilson,NRTL,and UNIQUAC equations and with them were correlated solubility data that were compared with the experimental ones.The best correlation of the solubility data has been obtained by the Wilson equation by which the average root-mean-square deviation of temperature for the three systems is 1.03 K.
基金Project(51178159)supported by the National Natural Science Foundation of ChinaProject(CXZZ12_0236)supported by the Postgraduate Technological Innovation Program of Jiangsu Province Education Department,China
文摘The adsorption of sulfate in aqueous solutions onto organo-nano-clay prepared by natural zeolite and cationic surfactant cetyltrimethylammonium bromide （CTAB） was studied.Parameters such as adsorbent dosage,contact time and temperature were investigated using batch adsorption studies.The results show that the uptake of sulfate increases with the increase of contact time and temperature,and decreases with the increase of dosage.The Freundlich isotherm model is fit to explain the sulfate adsorption onto organo-nano-clay.The maximum adsorption capacity is found to be 38.02 mg/g at 40 ℃.The kinetic data fit well the pseudo-second-order and Elovich models with a R2 more than 0.98.It is suggested that chemisorption is the rate-controlling step for adsorption of sulfate onto organo-nano-clay,meanwhile both intraparticle diffusion and boundary layer diffusion also contribute as well.Ion-exchange between sulfate anions and bromide ions and complexation between sulfate anions and CTAB cations are responsible for the mechanism of sulfate adsorption.Keywords：organo-nano-clay; cetyltrimethylammonium bromide （CTAB）; modification; sulfate; adsorption
基金Supported by the National Natural Science Foundation of China（20466003 20866008）
文摘The solubilities of the quinary system Na^＋ ,K^＋ ,Mg^2＋ //Cl ,NO 3 ^-H2O and its two quaternary subsystems, Na^＋ ,K^＋ ,Mg^2＋ //NO 3 -H2O and K^ ＋ ,Mg ^2＋ //Cl ,NO 3 ^-H2O,were studied by isothermal method at 25°C and their phase diagrams were plotted.In the equilibrium phase diagram of quaternary system Na^ ＋ ,K^ ＋ ,Mg ^2＋ //NO 3 ^-H2O, there are one invariant point,three univariant curves and three regions of crystallization with one salt：NaNO3, KNO3 and Mg（NO3）2·6H2O.In the equilibrium phase diagram of quaternary system K ^＋ ,Mg ^2＋ //Cl ,NO 3 ^-H2O,there are three invariant points,seven univariant curves and five regions of crystallization with one salt：KNO3,KCl, Mg（NO3）2·6H2O,MgCl2·6H2O and KCl·MgCl2·6H2O.In the equilibrium phase diagram of the quinary system Na ^＋ , K^ ＋ ,Mg ^2＋ //Cl ,NO 3^ -H2O,there are four invariant points,and seven regions of crystallization with one salt：NaCl, KCl,NaNO3,KCl·MgCl2·6H2O,KNO3,MgCl2·6H2O and Mg（NO3）2·6H2O.
基金Supported by the Major National Science and Technology Special Project on Treatment and Control of Water Pollution(2009ZX07425-006)the State Key laboratory of Environmental Simulation and Pollution Control (09K04ESPCT)
文摘The adsorption equilibrium of a fluoride solution on 1-2 mm granular activated alumina modified by Fe2(SO4)3 solution was investigated.The experiments were conducted using a wide range of initial fluoride concentrations(0.5 to 180 mg·L-1 at pH～7.0) and an adsorbent dose of 1.0 g·L-1.The application of Langmuir and Freundlich adsorption isotherm models(linear and nonlinear forms) generally showed that a single Langmuir or Freundlich equation cannot fit the entire concentration gap.Experimental data on low equilibrium concentrations(0.1 to 5.0 mg·L-1) was in line with both Langmuir and Freundlich isotherm models,whereas that of high equilibrium concentrations(5.0 to 150 mg·L-1) was more in line with the Freundlich isotherm model.A new LangmuirFreundlich function was used for the entire concentration gap,as well as for low and high concentrations.
基金Supported by the National Key Research and Development Program(2016YFB0301702)National Natural Science Foundation of China(21776284,21476236)+1 种基金Key Research Program of Frontier Sciences,CAS(QYZDJ-SSW-JSC030)Jiangsu National Synergetic Innovation Center for Advanced Materials
文摘A general CFD-PBE(computational fluid dynamics-population balance equation) solver for gas–liquid poly-dispersed flows of both low and high gas volume fractions is developed in OpenFOAM(open-source field operation and manipulation) in this work. Implementation of this solver in OpenFOAM is illustrated in detail. The PBE is solved with the cell average technique. The coupling between pressure and velocity is dealt with the transient PIMPLE algorithm, which is a merged PISO-SIMPLE(pressure implicit split operator-semi-implicit method for pressure-linked equations) algorithm. Results show generally good agreement with the published experimental data, whereas the modeling precision could be improved further with more sophisticated closure models for interfacial forces, the models for the bubble-induced turbulence and those for bubble coalescence and breakage.The results also indicate that the PBE could be solved out the PIMPLE loop to save much computation time while still preserving the time information on variables. This is important for CFD-PBE modeling of many actual gas–liquid problems, which are commonly high-turbulent flows with intrinsic transient and 3 D characteristics.
基金Supported by the National Fundamental Research Development Program of China (G2000048005) and the State Key Laboratories of Chemical Engineering, China (0047).
文摘In order to obtain solubility data of propylene in 2-butanol+water solutions, gas-liquid equilibrium(GLE) experiment was carried out at 303.15--333.15 K, 0.3-1.2 MPa with static equilibrium still. Original mass ratios of 2-butanol to water are 1:0，9:1,8:2 and 7:3, respectively. The equilibrium data are correlated with an empirical correlation. The average relative deviation (ARD) between experimental and calculated values is 2.15%,and the maximum relative deviation (MRD) is less than 5%.
文摘In order to obtain the solubility data of propylene in 2-propanol-water solutions, gas-liquid equilibrium (GLE) experiments were carried out at 303.15-333.15 K, 0.27-0.98 MPa in a static equilibrium still. The original mass ratio of 2-propanol to water was 9∶1,8∶2,7∶3,1∶0, respectively. The equilibrium data were correlated with an empirical model and the regression of model parameters was completed by Gauss-Newton nonlinear least square (NLS). The average relative deviation (ARD) between the experimental and calculated value is 1.570 0, and the maximum relative deviation (MRD) is 4.820 0. In addition, a simple approach that correlated the model parameters with the system composition was also provided.
文摘The adsorption onto bentonite of three heavy metals often found in industrial effluents （chromium, iron ana zinc） was studied. The kinetic equilibrium data show that the bentonite fixes more chromium（VI） than iron（II） and zinc（II）. The adsorption capacities of heavy metals in equilibrium with the bentonite are influenced by the stirring speed and environment temperature. The thermodynamic parameters obtained indicate that the adsorption of heavy metals onto bentonite is a spontaneous and exothermic process.
文摘This paper presents an extension of the procedure developed in the case of water-alkane binaries to mixtures of water and benzene or toluene or xylene or ethylbenzene or diethylbenzene. The method used to calculate the equilibria is baized on the Peng-Robinson cubic equation of state modified as regards the coefficient α(Tr) and on the use of a binary interaction coefficient Kiw specific to binaries containing water.
