Molecular simulation of penetration separation for ethanol/water mixtures using two-dimensional nanoweb graphynes

Graphyne is expected to be a new-class of highly-efficient sieving membranes due to its controllable uniform pore structure and ultrathin single-atom thickness. Herein, we computationally investigate the permeation performance of liquid ethanol–water mixtures across polyporous two-dimensional γ-graphyne sheets. It was found that, in the mixture, ethanol with larger molecular diameter permeates faster through the graphyne pores than water. The simulations demonstrate that pristine graphynes could act as highly-efficient ethanol-permselective membranes for separation of ethanol–water mixtures, with ethanol permeability remarkably higher than conventional membranes. This separation mechanism is distinctly different from the molecular-size dependent sieving process. The stronger hydrophobic interfacial affinity between graphyne and ethanol makes ethanol molecules preferentially adsorb on graphyne surface and selectively penetrate through graphyne pores. This penetration mechanism provides new understanding of molecular transport through atomically thick two-dimensional nanoporous membranes and this work is expected to be valuable in the potential development of highly-efficient membranes for liquid-phase mixture separation.

Morphology Control of SrCO_3 Crystals using Complexons as Modifiers in the Ethanol-water mixtures

Using SrC12-6H2O and Na2CO3 as the main raw materials and adding different complexons as modifiers with simple co-precipitation method, SrCO3 crystals with distinct morphologies like spherical, bundle-like, overlapping plate-like, hexagonal star-like, dumbbell-like, etc. can be synthesized in the ethanol-water mixtures. The samples were characterized by X-ray diffraction （XRD）, scanning electron microscopy （SEM） and Fourier transform infrared spectrograph （FT-IR）. The interrelated effect mechanism is presented in the end. Results show that the modifier carboxyl groups play a significant role in controlling the SrCO3 crystal morphologies, which can alter the crystal growth unit （Sr^2＋） supply mode and induce the crystal formation with the morphologies matching their spatial configurations.

SELECTIVE SEPARATION OF WATER-ETHANOL MIXTURES THROUGH COPOLYMERIC MEMBRANES: Ⅰ. ACRYLIC ACID AND ACRYLONITRILE COPOLYMER AND ITS IONIZED MEMBRANES

The copolymer of acrylic acid and acrylonitrile has been synthesized and pervaporation properties of the copolymeric membranes have been investigated. In order to elucidate the influence of membrane-permeate interaction on the pervaporation of water-ethanol mixtures and to prepare much improved membranes, the membranes have been treated with alkali metal, alkali earth metal and transition metal salt aqueous solutions. The treated membranes (ionized membranes) exhibited higher separation factors than the untreated membranes. The separation factors of various alkali metal cation membranes decreased in the following order : Li^+>Na^+>K^+, and the permeation rates showed an opposite tendency. The dependence of pervaporation behavior on the copolymer composition ,feed concentration and operating temperature have been studied with both ionized and non-ionized membranes. The apparent activation energies of water and ethanol permeation were calculated.

Design of Pilot Plant Packed Column for the Dehydration of Water from Ethanol-Water Mixtures

This use of biomass-based adsorbent has been explored for the column study of the adsorptive dehydration of water in ethanol-water mixtures. The column study was carried out using enzyme modified corn starch and the breakthrough curve parameters were used to design the packed bed column. The effect of flow rate on the breakthrough curves revealed that adsorption efficiency decreased with increased inflow rate. The empty bed contact time (τ) of the pilot plant packed column was 35.35 min while the breakthrough time is 40.78 min. 66.7% was the fraction of capacity left unused for the pilot plant from the design.

Absorption and Structural Property of Ethanol/Water Mixture with Carbon Nanotubes

Molecular dynamics （MD） simulations are performed to study the structure and adsorption of ethanol/water mixture within carbon nanotubes （CNTs）. Inside the （6,6） and （10,10） CNTs, there are always almost full of ethanol molecules and hardly water molecules. Inside wider CNTs, there are some water molecules, while the ethanol mass fractions inside the CNTs are still much higher than the corresponding bulk values. A series of structural analysis for the molecules inside and outside the CNTs are performed, including the distributions of radial, axial, angular density, orientation, and the number of hydrogen bonds. The angular density distribution of the molecules in the first solvation shell outside the CNTs indicates that the methyl groups of ethanol molecules have the strongest interaction with the carbon wall, and are pinned to the centers of the hexagons of the CNTs. Based on the understanding of the microscopic mechanism of these phenomena, we propose that the CNTs prefer to contain ethanol rather than methanol.

Experimental study on the flow behaviour of water-sand mixtures in fractured rock specimens

The study of flow behaviour of water-sand mixtures in fractured rocks is of great necessity to understand the producing mechanism and prevention of water inrush and sand gushing accidents.A self-developed seepage test system is used in this paper to conduct laboratory experiments in order to study the influence of the particle size distribution,the void ratio,and the initial mass of Aeolian sand on the flow behavior.It is concluded that the water flow velocity is insensitive to the initial mass of the Aeolian sand but increases with the power exponent in the Talbot formula and the specimen height.The outflow of the Aeolian sand increases with the power exponent in the Talbot formula,the specimen height,and the initial mass of the Aeolian sand.Besides,the outflow of the Aeolian sand changes exponentially with the water flow velocity.Finally,it is found that the fractured specimen has a maximum sand filtration capacity beyond which the outflow of the Aeolian sand significantly increases with the initial mass of the Aeolian sand.

Deformation and water/gas flow properties of claystone/bentonite mixtures

As a potential engineered barrier material for disposal of radioactive waste in clay formations,claystone aggregate excavated from the Opalinus clay(OPA),its mixture with bentonite MX80 in a mass ratio of 7/3,and pure bentonite were extensively investigated with respect to the hydro-mechanical properties and performances.With these materials,a series of parallel experiments was performed under sequentially applied conditions of hydration with synthetic porewater of the clay formation,consolidation and water flow under increased stresses,and gas injection into the water-saturated and compacted materials under loading.Significant responses of the clay mixtures were observed.Main findings include:(1)the hydration and induced swelling of the mixtures are mainly dominated by bentonite content and dry density;(2)the consolidation decreases the porosity and water permeability exponentially by 2-3 orders of magnitude to low values of 10^(-18)-10^(-20) m^(2) at stresses of 2-5 MPa,depending upon bentonite content;and(3)the gas penetration in the water-saturated and compacted bentonite is characterised by a cyclic pressure rising/dropping process limited in between the upper breakthrough and lower shut-off boundaries,whereas the compacted claystone and claystone/bentonite mixture allow for gas release at low and moderate pressures.The results are helpful for design of the engineered barriers for safe isolation of radioactive waste in repositories.

Molecular dynamics simulation of the interaction of ethanol-water mixture with a Pt surface

An analysis of the molecular dynamics of ethanol solvated by water molecules in the absence and presence of a Pt surface has been performed using DL_POLY_2.19 code. The structure and diffusion properties of an ethanol–water system have been studied at various temperatures from 250 to 600 K. We have measured the self-diffusion coefficients of the 50:50% ethanol–water solution;in the absence of a Pt surface our results show an excellent agreement–within an error of 7.4% – with the experimental data. An increase in the self-diffusion coefficients with the inclusion of a Pt surface has been observed. The estimation of the diffusion coefficients of both water and ethanol in the presence of a Pt surface shows that they obey the Arrhenius equation;the calculated activation energies of diffusion of ethanol and water are 2.47 and 2.98 Kcal/mole, respectively. The radial distribution function graphs and density profiles have been built;their correlations with the self-diffusion coefficients of both ethanol and water molecules are also illustrated.

PERVAPORATION SEPARATION OF WATER-ACETIC ACID MIXTURES THROUGH AN-co-AA MEMBRANES TREATED WITH RARE EARTH METAL IONS

Pervaporation separation of water-acetic acid mixtures through Poly(AN-co-AA) membranes and rare earth metal ions treated Poly(AN-co-AA)membranes was investigated for the first time. The results showed that the treatment with rare earth metal ions could greatly improve the characteristics of the separation of water-acetic acid mixtures.

Thermal Decomposition of Bamboo Phyllostachys Edulis Pretreated with Ionic Liquids-Water Mixtures

The ionic liquid (IL)-water mixture pretreated bamboo (Phyllostachys edulis) samples were applied in the research of thermal decomposition. [BMIM]Cl (1-Butyl-3-methylimidazolium chloride)- water and [BMIM]BF4 (1-Butyl-3-methylimidazolium tetrafluoroborate)-water were used in pretreatment process. Compositions of the untreated bamboo and pretreated bamboo were compared. The results of X-ray diffraction analysis (XRD) were analyzed to explain the effect of ILs mixture on cellulose crystalline structure. The pretreated cellulose with [BMIM]Cl&#45 water mixture was tend to produce the more gaseous products, which were associated with the decomposition rate. The behavior of more CO and CH4 gaseous products and less tar in the thermal decomposition products could be attributed to ILs-water mixture pretreatment process. The potential and some problems of ILs-water mixture pretreatment method applied in thermal chemical conversion methods were also discussed.

Numerical Simulation of Hydraulic Transport of Sand-Water Mixtures in Pipelines

The development of empirical model for the hydraulic transport of sand-water mixtures is important for the design of economical solid-liquid transportation system in chemical and waste-disposal industries. The hydraulic transport characteristics of sand-water mixtures in circular pipelines are numerically investigated by using the FLUENT commercial software. Eulerian granular multiphase (EGM) model with the k-e turbulent model is used for the computation. Present method is validated by the computed values with the measured data. The effect of the concentration and pipe sizes on the relative solid effect is numerically investigated. It is found that the effect of the volumetric delivered concentration on both hydraulic gradient and solid effect increases as the Reynolds number decreases. When the Reynolds number is small, the increase in the volumetric delivered concentration has an effect of decreasing the hydraulic gradient whereas the solid effect increases with the volumetric delivered concentration stepping up. The effect of the pipe diameter is not the critical parameter for deciding the values of the relative solid effect in the sand-water mixture transportation.

A Proton Nuclear Magnetic Resonance (¹H NMR) Investigation of NaCl-Induced Phase Separation of Acetonitrile-Water Mixtures

The microscopic properties of NaCl-induced phase separation of acetonitrile (ACN)-water mixtures have been studied by proton nuclear magnetic resonance (1H NMR). Acetonitrile-rich phase increases with increasing NaCl concentration (cNaCl) at xACN ≈ 0.25. 1H chemical shift of water for acetonitrile-rich phase rapidly decreases with decreasing NaCl mole concentration and that for water-rich phase quickly increases with increasing cNaCl. However, 1H chemical shift of acetonitrile has nothing to do with the molar concentration of NaCl, and it keeps relatively stable for all solutions (±0.002). These results reveal that Na+ and Cl- are rapidly hydrated by water, not by acetonitrile. The change of 1H chemical shift of water has shown that the number of hydrogen bond increases or hydrogen bond strengths with increasing NaCl molarity in mixtures. But hydrogen bond is broken or weaken with the temperature rising. 1H chemical shifts of pure water and the water in acetonitrile-rich phase have been investigated at 293 K, 298 K and 303 K. The hydration number of Na+ (6.05) in water-rich phase is determined by an empirical equation involving 1H chemical shift, temperature and NaCl molarity, which is in good agreement with the literatures.

Water Sorption Behaviors of Novel Biohybrid Hydrogels as Effective Sorbents in Water-Solvent Binary Mixtures

Novel sorbent hydrogels containing acrylamide/sodium vinylsulfonate, carboxymethyl cellulose and zeolite were synthesized with free radical solution polymerization by using ammonium persulfate/N,N,N’,N’-tetramethylethyle-nediamine as redox initiating pair in presence of poly(ethylene glycol) diacrylate as crosslinker. It was to investigate the water uptake properties of series of the novel hydrogels, the semi IPNs and the hybrid/biohybrid composite hydrogel sorbents synthesized in this study. Water uptake studies were performed in water and in water-solvent (acetone, methanol and tetrahydrofuran) binary mixtures at 25°C, gravimetrically. Some swelling and diffusion parameters were calculated and discussed. It has been seen that the lower equilibrium swelling factor values in all solvent compositions in comparison with the equilibrium swelling factor values in water.

Plasma induced degradation of Indigo Carmine by bipolar pulsed dielectric barrier discharge(DBD) in the water-air mixture

Degradation of the Indigo Carmine(IC) by the bipolar pulsed DBD in water-air mixture was studied. Effects of various parameters such as gas flow rate, solution conductivity, pulse repetitive rate and ect., on color removal efficiency of dying wastewater were investigated. Concentrations of gas phase O 3 and aqueous phase H 2O 2 under various conditions were measured. Experimental results showed that air bubbling facilitates the breakdown of water and promotes generation of chemically active species. Color removal efficiency of IC solution can be greatly improved by the air aeration under various solution conductivities. Decolorization efficiency increases with the increase of the gas flow rate, and decreases with the increase of the initial solution conductivity. A higher pulse repetitive rate and a larger pulse capacitor C\-p are favorable for the decolorization process. Ozone and hydrogen peroxide formed decreases with the increase of initial solution conductivity. In addition, preliminary analysis of the decolorization mechanisms is given.

A spectral mixture model analysis of the Kuroshio variability and the water exchange between the Kuroshio and the East China Sea

For understanding more about the water exchange between the Kuroshio and the East China Sea,We studied the variability of the Kuroshio in the East China Sea(ECS) in the period of 1991 to 2008 using a three-dimensional circulation model,and calculated Kuroshio onshore volume transport in the ECS at the minimum of 0.48 Sv(1 Sv ;106 m3/s) in summer and the maximum of 1.69 Sv in winter.Based on the data of WOA05 and NCEP,The modeled result indicates that the Kuroshio transport east of Taiwan Island decreased since 2000.Lateral movements tended to be stronger at two ends of the Kuroshio in the ECS than that of the middle segment.In addition,we applied a spectral mixture model(SMM) to determine the exchange zone between the Kuroshio and the shelf water of the ECS.The result reveals a significantly negative correlation(coefficient of-0.78) between the area of exchange zone and the Kuroshio onshore transport at 200 m isobath in the ECS.This conclusion brings a new view for the water exchange between the Kuroshio and the East China Sea.Additional to annual and semi-annual signals,intra-seasonal signal of probably the Pacific origin may trigger the events of Kuroshio intrusion and exchange in the ECS.

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

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

Performance Evaluation of Heat Exchangers in OTEC Using Ammonia/Water Mixture as Working Fluid

The ocean thermal energy conversion (OTEC) system is a promising solution to provide stable electricity supply. Although the available temperature difference in OTEC systems is small, an ammonia/water mixture as working fluid is expected to decrease irreversible losses in the heat exchangers and to improve system performance. However, in actual heat exchangers, an adequate temperature crossing does not occur in the condenser but in the evaporator. Therefore, clarification of this characteristic is important. To date, the logarithmic temperature difference (LMTD) method is used in performance evaluations of OTEC heat exchangers. This method is of limited use if physical properties of fluids vary. A generalized mean temperature difference (GMTD) method is introduced to perform this evaluation. As changes in fluid property values can be considered in the GMTD method, method dependencies on heat exchanger characteristics, effectiveness, and system characteristics can be studied. In particular, GMTD and LMTD using a pure substance were found to be almost equal. Mean temperature differences using mixtures as working fluid were higher in the evaporator, but lower in the condenser, from the GMTD method than from the LMTD method. For higher ammonia concentrations in ammonia/water mixtures, the mean temperature differences from both methods are different.

Fluorescence spectrum characteristic of ethanol-water excimer and mechanism of resonance energy transfer

The steady-state fluorescence spectrum characteristic of ethanol-water excimer has been studied in this paper. By analysing the features of the sharp emission spectrum with fine structures in a shortwave band and the characteristics of the broad and featureless fluorescence peaks in the longwave band, one can conclude that the excimers are formed between the new ethanol-water cluster molecules in the excited state and the ground state through the interaction among different chromophores. The excitation spectra in the two fluorescence bands have been studied, and their emission mechanisms have been ascertained based on the energy transfer theory. Furthermore, the critical distance of the resonance energy transfer has been calculated.

A Comparative Study of Flavonoid Water-Ethanol Extraction Process in Planted Trollius Chinensis

With rutin standard sample as the comparison, flavonoid extraction rate as an indicator, UV-2450 ultraviolet visible light spectrophotometer to measure flavonoid content in planted Trollius chinensis through orthogonal experiment, this experiment optimizes process condition of flavonoid in Trollius chinensis through water extraction and ethanol extraction. The result shows that flavonoid extraction rate of Trollius chinensis through ethanol extraction method is obviously higher than water extraction, and the optimal extraction process condition is： ethanol concentration is 75%, extraction time is 90min, extraction times are 3, and fluid material ratio is 20：1.

Optimal Mixture Ratios of Biodiesel Ethanol Diesel for Diesel Engines

In this paper, we study the best-mixture ratio of biodiesel-ethanol-diesel for diesel engines. The simulation results show that the integrated indexes including engine power, cost-effectiveness and emission properties are rather better with different optimizing index when the ratio of bio-diesel, ethanol and diesel are 71.58:2.72:25.70 and 50:2.4127:47.5873.