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.

Influence of water vapor on the separation of volatile organic compound/nitrogen mixture by polydimethylsiloxane membrane

In the industrial treatment of waste volatile organic compound(VOC)streams by membrane technology,a third impurity,generally,water vapor,coexists in the mixture of VOC and nitrogen or air,and can affect membrane performance and the design of the industrial process.This study focused on the investigation of the effect of water vapor on the separation performance of the separation of VOC/water/nitrogen mixtures by a polydimethylsiloxane(PDMS)membrane.Three types of VOCs:water-miscible ethanol,water-semi-miscible butanol,and water-immiscible cyclohexane,were selected for the study.Different operating parameters including,concentration of the feed VOC,feed temperature,and concentration of the feed water were compared for the separation of binary and ternary VOC/nitrogen mixtures.The interaction between the VOC and water was analyzed to explain the transportation mechanism after analyzing the difference in the membrane performance for the separation of binary and ternary mixtures.The results indicated that the interaction between the VOC(or nitrogen)and water is the key factor affecting membrane performance.Water can promote the permeation of hydrophilic VOC but prevent hydrophobic VOC through the membrane for the separation of ternary VOC/water/nitrogen mixtures.These results will provide fundamental insights for the design of the recovery application process for industrial membrane-based VOCs,and also guidance for the investigation of the separation mechanism in vapor permeation.

Significance of Nanoparticles Aggregation with Cattaneo-Christov Heat Flux on the Water and Ethylene Glycol Mixture Based MWCNTs-Nanofluid Flow over a Stretching Cylinder

This work aims to analyze the flow of electrically conducting MWCNTs-nanofluid over a stretching cylinder with the aggregation and non-aggregation effects of nanoparticles. The working fluid comprised a combination of water and ethylene glycol, with volumetric proportions of (50:50) considered. Convective boundary constraints and modified Fourier law are implemented in heat transmission assessment. The mathematical flow model is formulated in the form of PDEs and is transformed into ODEs via similarity transformation. Numerical outcomes will be obtained with the use of the bvp4c technique and will be displayed with the help of graphs and tables. The results show that the surface drag coefficient is enhanced in the case of aggregation of nanoparticles whereas heat transfer rate is enhanced in the non-aggregation effect of nanoparticles. Furthermore, the temperature distribution enhances the increasing values of particle volume fraction in the case of aggregation effects of nanoparticles whereas temperature distribution lowers in the case of non-aggregation effect of nanoparticles. .

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.

Ethanol-Water Near-Azeotropic Mixture Dehydration by Compound Starch-Based Adsorbent

Ethanol-water near-azeotropic mixture dehydration was investigated by formulated compound starchbased adsorbent(CSA), which consists of corn, sweet potato and foaming agent. The net retention time and separation factor of water over ethanol were measured by inverse gas chromatography(IGC). Results indicated that water has a longer net retention time than ethanol and that low temperature is beneficial to this dehydration process. Orthogonal test was conducted under different vapor feed flow rates, bed temperatures and bed heights, to obtain optimal fixed-bed dehydration condition. Dynamic saturated adsorbance was also studied. It was found that CSA has the same water adsorption capacity(0.15 g/g)as some commercial molecular sieves. Besides, this biosorptive dehydration process was found to be the most energy-efficient compared with other ethanol purification processes.

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.

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.

Estimation of Pool Boiling Heat Transfer Coefficients of Ethanol-Water Mixtures

Based on the analysis of the principles of heat and mass transfer from the liquid bulk to bubble surface during nucleation, a new estimation method to predict the heat transfer of the nucleate pool boiling in binary mixtures is proposed in this paper by using t he heat and mass transfer analogy (Colburn analogy) at the bubble surface transfer layers. With the use of Thome's eaacept of boiling range, an approximate method is derived to vealise the calculation. The peedictbd results by this method are in good agreement with the experimental data from different sources.

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.

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.

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.

Influence of Hydrodynamic Pore Pressure Damage on the Performance of Hot-Mixed Renewable Asphalt Mixture

For evaluating the water stability of hot-mixed renewable asphalt mixture(HRM),the traditional methods are all tested under still water conditions.Except for damage in still water conditions,the hydrodynamic pore pressure generated by the tire driving on the surface water has a great impact.Thus,the RAP contents of the HRMs were designed at 0%,30%,45%and 60%with AC-25 gradation.Then,the self-designed evaluation methods of water stability and dynamic modulus were studied.Finally,the mechanism of the influence of hydrodynamic pore pressure damage on HRMs was studied.The results show that the water stability of HRM containing 30%RAP is equivalent to that of 45%RAP,and the water stability of HRM containing 60%RAP decreases significantly.The Contabro test after MIST treatment can be used as an evaluation method for hydrodynamic pore pressure damage on HRM.Low-speed,heavy-load traffic and larger RAP content have greater damage to the mixture after hydrodynamic pore pressure damage.The performance differences between the aged bitumen and pure bitumen,as well as the aged minerals and new minerals,are continuing to be enlarged in hydrodynamic pore pressure conditions,finally affecting the water stability and dynamic modulus of the HRMs.

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.

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.

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.

Rational modulation of electronic structure in PtAuCuNi alloys boosts efficient electrocatalytic ethanol oxidation assisted with energy-saving hydrogen evolution

Compared to conventional electrocatalytic water splitting,electrocatalytic ethanol oxidation reaction(EOR)along with hydrogen production is considered a more energy-efficient strategy.Herein,we prepared a type of novel quaternary alloy catalyst(PtAuCuNi@NF)that exhibits excellent activity for EOR(0.215 V at 10 mA cm^(-2))and hydrogen evolution reaction(HER)(7 mV at 10 mA cm^(-2)).Experimental results demonstrated that both Cu and Ni modulated the electronic environment around Pt and Au.The electron-rich active center facilitates the rapid adsorption and dissociation of reactants and intermediates for both EOR and HER.Impressively,in the ethanol-assisted overall water splitting(E-OWS),a current density of 10 mA cm^(-2)was achieved at 0.28 V.Moreover,an advanced acid-base self-powered system(A-Bsps)that can achieve a self-powered voltage of 0.59 V was assembled.Accordingly,the self-driven hydrogen production with zero external power supply was realized by integrating A-Bsps with the E-OWS equipment.The interesting results can provide a feasible strategy for designing and developing advanced nanoalloy-based materials for clean energy integration and use in various fields.

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.

Evaluation of the Effectiveness of a 4-Months Continuous Injection of a Gas Mixture (CO₂and Inert Gases) on <i>Legionella</i>Contamination of a Hot Water Distribution System

Within the biofilm and scales Legionella is less far susceptible to the effects of the most frequently used biocides. The objective of this study was to evaluate the effect of a 4-months continuous injection of a gas mixture (CO2 and inert gas) in the hot water distribution system of a large hotel colonized by L. pneumophila sg3 on limiting biofilm formation and scales and in turn Legionella growth. Before the continuous injection of the gas mixture, out of the 15 sampling points examined every month 60% were colonized by Legionella (mean concentrations of 102 cfu/L in the boilers and the return loop, and 104 cfu/L in taps and showers). One week after the injection of the gas mixture and daily fluxing of the distal outlets, the level of colonization decreased (3 cfu/L). When it was decided to flux all the distal outlets only 1 day per week the mean concentration of Legionella increased again (>104 cfu/L) in all the sampling points. Thus, cleaning of the boilers was performed and distal outlets were again fluxed daily. One week after the level of contamination decreased again (2 cfu/L). Nonetheless, the colonization was not eliminated and when fluxing of the distal outlets was not performed every day the mean concentrations of Legionella raised up to >104 cfu/L. Results indicate that the gas mixture was able to reduce the level of colonization by Legionella only because associated to the fluxing of the distal outlets.