The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring's rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT, vapor-liquid equilibrium, caloric properties, surface tension, and viscosity.

The amount of ethylene in refinery off-gas is high with a mass fraction of 20%, but the refinery off-gas is usually used as fuel gas in most refineries.The separation and recovery of ethylene is of remarkable significance for saving energy and reducing carbon dioxide emission.The aim of this paper is to use a novel absorbent mesitylene for the ethylene absorption process and assess its application feasibility through the ethylene+mesitylene vapor-liquid equilibrium data measurement and its binary interaction parameter correlation, as well as the simulation for ethylene separation process.

The effects of blend composition and micro-phase structure on the mechanical behavior of A/B polymer blend film are studied by coupling the Monte Carlo(MC) simulation of morphology with the lattice spring model(LSM) of micro mechanics of materials.The MC method with bond length fluctuation and cavity diffusion algorithm on cubic lattice is adopted to simulate the micro-phase structure of A/B polymer blend.The information of morphology and structure is then inputted to the LSM composed of a three-dimensional network of springs to obtain the mechanical properties of polymer blend film.Simulated results show that the mechanical response is mainly affected by the density and the composition of polymer blend film through the morphology transition.When a force is applied on the outer boundary of polymer blend film, the vicinity of the inner cavities experiences higher stresses and strains responsible for the onset of crack propagation and the premature failure of the entire system.

Phase behavior of paclitaxel in solvent mixtures of dichloromethane and supercritical carbon dioxide was investigated using a supercritical phase monitor.Cloud point pressures were determined as a function of temperature, pressure and paclitaxel content from 313.1 to 343.1K and pressures up to 33.52 MPa.The ternary mixtures exhibit a typical lower critical solution temperature behavior.When paclitaxel content increases, the single-phase region shrinks in size.Three cubic equations of state(Redlich-Kworng, Soave-Redlich-Kwong and Peng-Robinson equation of state) coupled with the van der Waals one-fluid mixing rules were selected to correlate the experimental data.The results indicate that SRK EOS coupled with two binary interaction parameters k_ij and l_ij can predict paclitaxel solubility for the best fit of experimental data.

Effects of salt and temperature on the liquid phase equilibrium of the(water+propionic acid+cyclohexanol) system were investigated.The liquid-liquid equilibrium data in the presence of KCl for various salt ionic strength of 0.5, 1.0, 1.5, 2.0, and 2.5 mol·dm³ and in absence of the salt at T=(298.2, 303.2, and 308.2)K were determined.The experimental results were correlated based on the Othmer-Tobias equation and Pitzer ion-interaction model.Thermodynamic properties such as distribution coefficients and activity coefficients of propionic acid in water+cyclohexanol were determined.In addition, the separation factor, S, of the chosen solvent was obtained for the investigated system.

Electrochemical removal of ammonia is a new and effective method in coking wastewater.The reaction mechanism of ammonia removal was proved by stable polarization curve in this paper.First, the supposing of reaction steps of the electrode were proposed.And then reaction parameter of the electrode was measured by Tafel curve.Finally, the reaction mechanism was determined by quasi-equilibrium approach.The results showed that Cl₂+H₂O→HOCl+H⁺+Cl^- was the rate-determining step, the calculated apparent transfer coefficient was uniform to the experimental value.

Traditional solvent recovery in the extraction step of edible oil processing is distillation, which consumes large amounts of energy.If the distillation is replaced by membrane process, the energy consumption can be reduced greatly.In this work, two kinds of membrane, PDMS(polydimethylsiloxane) composite membrane and Zeolite filled PDMS membrane were prepared, in which asymmetric microporous PVDF(polyvinylidenefluoride) membrane prepared with phase inversion method was functioned as the microporous supporting layer in the flat-plate composite membrane.The different function compositions of the PDMS/PVDF composite membranes were characterized by reflection Fourier transform infrared(FTIR) spectroscopy.The surface and section of PDMS/PVDF composite membranes were investigated by scanning electron microscope(SEM).The PDMS NF(nanofiltration) membranes were then applied in the recovery of hexane from soybean oil/hexane miscellas(1:3, mass ratio).The effects of pressure(0.5-1.5 MPa), cross-linking temperature and PDMS layer thickness on membrane performances were investigated.The results indicated that both two kinds of NF membranes were promising for solvent recovery, and zeolite filled in PDMS NF membrane could enhance the separation performance.

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.

The Mg²⁺/Li⁺/Cl^- solutions were filtrated with a commercially available DK nanofiltration membrane to investigate the possibility to enrich the lithium component.The investigation was significant as such an approach might be a competing substitute for the present lithium purification industry and the environmental protection purpose.The Donnan steric pore model(DSPM) was implemented for the prediction.The separation of Mg²⁺/Li⁺ was mainly affected by the working pressure(or the permeation flux) and a limiting separation factor was found around 0.31.The effective membrane charge density was evaluated and its dependence on the permeation flux as well as the ion pattern was discussed.For predicting an actual separation of electrolytes, the experimental investigation seems necessary for the reliability and efficiency.

Effective recovery of UO₂²⁺ from wastewater is essential for nuclear fuel industry and related industries.In this study, a novel adsorbent was prepared by loading titanium(Ti⁴⁺) onto collagen fiber(TICF), and its physical and chemical properties as well as adsorption to UO₂²⁺ in nuclear fuel industrial wastewater were investigated.It is found that TICF can effectively recover UO₂²⁺ from the wastewater with excellent adsorption capacity.The adsorption capacity is 0.62 mmol·g^-1 at 303 K and pH 5.0 when the initial concentration of UO₂²⁺ is 1.50 mmol·L^-1.The adsorption isotherms can be described by the Langmuir equation and the adsorption capacity increases with temperature.The effect of co-existed F on the adsorption capacity for UO₂²⁺ is significant, which can be eliminated by adding aluminum ions as complexing agent, while the other co-existed ions in the solutions, including HCO₃^-, Cl^-, NO₃^-, Ca²⁺, Mg²⁺ and Cu²⁺, have little effect on the adsorption capacity for UO₂²⁺.The saturated TICF after UO₂²⁺ adsorption can be regenerated by using 0.2 mol·L^-1 nitrate(₃) as desorption agent, and the TICF can be reused at least three times.Thus the TICF is a new and effective adsorbent for the recovery of UO₂²⁺ from the wastewater.

The total withdrawal operation is an inevitable section in cyclic total reflux batch distillation.In the operation, an interesting phenomenon "overhead concentration platform"(OCP) appears, which is defined as a period of time with high overhead concentrations when the operation is changed from total reflux to total withdrawal.The OCP phenomenon and its influential factors, such as the theoretical stage number, feed concentration, and feed composition, are examined by simulations and experiments.The experimental equipment is a column with random packings.It is shown that the number of theoretical stages influences the OCP more significantly than the other factors.

Enantiomer separation is one of the most important prerequisites for the investigation of environmental enantioselective behavior for chiral pesticides.The enantiomeric separation of three chiral pesticides, indoxacarb, lambda-cyhalothrin, and simeconazole, were studied on cellulose tris-(3,5-dimethylphenyl-carbamate)-coated chiral stationary phase(CDMPC-CSP) using high-performance liquid chromatography under normal phase condition.The effects of chromatographic conditions, such as the mobile phase composition including the concentration and type of alcohol modifiers in hexane, flow rate and column temperature, on enantiomer separation were examined.The thermodynamical mechanism of enantioseparation and chiral recognition mechanism were discussed.Better separation were achieved using 20% n-propanol for indoxacarb, 2% iso-butanol for lambda-cyhalothrin, and 20% iso-propanol for simeconazole as modifiers in hexane at 25℃ with the selectivity factor(a) of 1.69, 1.82 and 1.70, respectively.The resolution factor(Rs) decreased as the flow rate increased from 0.4 to 1.1 ml·min^-1.The retention factor(k') and selectivity factor for the enantiomers of analytes decreased as temperature increased.The lna-1/T plots for racemic chiral pesticides were linear in the range of 15-35℃ in hexane/iso-propanol and the chiral separation was controlled by enthalpy.Hydrogen bonding, π-π and dipole-dipole interactions between enantiomers and CDMPC-CSP play an important role in chiral identification, and the fitting of the asymmetric portion of solutes in a chiral cavity or channel of the CSP is also important.

The findings were presented from laboratory investigations on the hydrate formation and dissociation processes employed to recover methane from coal mine gas.The separation process of coal mine methane(CMM) was carried out at 273.15K under 4.00 MPa.The key process variables of gas formation rate, gas volume stored in hydrate and separation concentration were closely investigated in twelve THF-SDS-sponge-gas systems to verify the sponge effect in these hydrate-based separation processes.The gas volume stored in hydrate is calculated based on the measured gas pressure.The CH₄ mole fraction in hydrate phase is measured by gas chromatography to confirm the separation efficiency.Through close examination of the overall results, it was clearly verified that sponges with volumes of 40, 60 and 80 cm³ significantly increase gas hydrate formation rate and the gas volume stored in hydrate, and have little effect on the CH₄ mole fraction in hydrate phase.The present study provides references for the application of the kinetic effect of porous sponge media in hydrate-based technology.This will contribute to CMM utilization and to benefit for local and global environment.

Three gas separation technologies, chemical absorption, membrane separation and pressure swing adsorption, are usually applied for CO₂ capture from flue gas in coal-fired power plants.In this work, the costs of the three technologies are analyzed and compared.The cost for chemical absorption is mainly from $30 to $60 per ton(based on CO₂ avoided), while the minimum value is $10 per ton(based on CO₂ avoided).As for membrane separation and pressure swing adsorption, the costs are $50 to $78 and $40 to $63 per ton(based on CO₂ avoided), respectively.Measures are proposed to reduce the cost of the three technologies.For CO₂ capture and storage process, the CO₂ recovery and purity should be greater than 90%.Based on the cost, recovery, and purity, it seems that chemical absorption is currently the most cost-effective technology for CO₂ capture from flue gas from power plants.However, membrane gas separation is the most promising alternative approach in the future, provided that membrane performance is further improved.

While conventional wastewater treatments for urban effluents are fairly routine and have proved highly effective, industrial wastewater requires more complex and specific treatments.This paper provides a technological strategy for removal of recalcitrant contaminants based on a hybrid treatment system.The model effluent containing a binary mixture of synthetic dyes is treated by a combination of a preliminary physicochemical stage followed by a biological stage based on ligninolytic enzymes produced by Phanerochaete chrysosporium.This proposal includes biosorption onto peat as pretreatment, which decreases the volume and concentration to be treated in the biological reactor, thereby obtaining a completely decolorized effluent.The treated wastewater can therefore be reused in the dyeing baths with the consequent saving of water resources.

A compact pneumatic pulse-jet pump with a Venturi-like reverse flow diverter, which consists of a nozzle and diffuser, is designed for lifting and transporting a hazardous fluid through a narrow mounting hole.The pumping performance for a liquid mixture or a liquid-solid mixture is examined in terms of the effects of liquid viscosity, particle mass concentration, lifting height, and compression pressure.Results reveal that the pumping performance of the compact pneumatic pulse-jet pump is controlled by jet inertia and the flow resistance of the riser tube positioned after the diffuser.The capacity of the compact pneumatic pulse-jet pump increases with compression pressure and decreases with liquid viscosity.However, even for a liquid mixture with a high viscosity of 7.38 mPa·s, a pumping capacity of 170.7 L·h^-1 was observed.For a liquid mixture, two dimensionless indices of performance were found to be the ratio of Euler numbers Eu_out/Eu_DV and the suction factor q.As the liquid-solid mixture was lifted to elevation of 6.74 m by the compact pump, the particle size distributions of the liquid-solid mixture in the tank and from the riser tube outlet were determined by a particle size analyzer and found to coincide well.

A bacterium strain B26 capable of producing(R)-α-hydroxyphenylacetic acid [(R)-HPA](yield, 47.5%;enantiomeric excess, 99.1%) from phenylglyoxylic acid(PGA) with high optical purity was isolated and identified as Bacillus sp.B26 by 16S rDNA(ribosomal DNA) sequencing.Phylogenic analysis showed that the strain was most similar to Bacillus sp.enrichment culture clone SYW5(FJ601635.1) and Bacillus cereus strain FM-4(EU794727.1).Efforts were made to further improve HPA-production and PGA-tolerance by UV irradiation and UV-LiCl cooperative mutagenesis.Among viable mutants, B.sp.UV-38 and B.sp.ULi-11 exhibited better productivities than the wild type.Comparisons of HPA production and time course among wild strain and two mutants showed that B.sp.ULi-11 was more competent than B.sp.UV-38.HPA production was increased by 39.1% with B.sp.ULi-11(yield, 65.4%) compared to that with B.sp.B26(yield, 47.0%) when cultured in fermentation broth(pH 7.2) at 32℃ with an agitation speed of 180 r·min^-1 and PGA final concentration of 15 mmol·L^-1 for 25 h.

Abstract>An extracellular NP-degrading enzyme secreted by Bacillus cereus.Frankland was purified to homogeneity by a combination of ammonium sulfate precipitation, Phenyl-Sepharose hydrophobic-interaction chromatography and DEAE anion-exchange chromatography.On SDS(sodium dodecyl sulfate)-polyacrylamide gel electrophoresis analysis, the purified enzyme showed a relative molecular mass of 58.3 kDa.The depolymerzation of subunits was accompanied with the loss of NP-degrading enzyme activity, and removing denaturing factors by dialysis could restore the dimer structure and enzymatic activity.The enzyme had an isoelectric point of 5.5 and an optimal temperature of 60℃, and was the most active at pH 6.0.The enzymatic activity was stable at pH 4-8 and inhibited by Cu²⁺.TenN-terminal amino acids were determined to be ASVNSIKIGY, demonstrating that the purified enzyme was a novel one.The hydrolysis pattern of the purified enzyme indicated that the NP-degrading enzyme was an endo NP-degrading enzyme.The extraordinary thermo-stability provided the enzyme with a good prospect to be used as a new tool for clean-production process for textile industry.

Fine particles are difficult to fluidize due to strong interparticle attraction.An attempt has been made to study the bed expansion of silica gel(d_p=25μm) powder in presence of an acoustic field.A 135 mm diameter fluidized bed activated by an acoustic field with sound intensity up to 145 dB and frequency from 90 Hz to 170 Hz was studied.The effects of sound pressure level, sound frequency and particle loading on the bed expansion were investigated.Experimental results showed that, bed expansion was good in presence of acoustic field of particular frequency.In addition, it was observed that in presence of acoustic field the bed collapses slowly.

ZrO₂-MnO₂-ZnO supports were prepared by the co-precipitation method, and then Ni-Na/ZrO₂-MnO₂-ZnO catalysts were prepared by the impregnation method.In this paper, the reactions to synthesize methyl isopropyl ketone and diethyl ketone by the one-step synthesis method over this catalyst were studied, and meanwhile, the impact of the catalyst preparation conditions and the reaction conditions on catalyst performance was also investigated.It was observed that under the conditions when Ni loading was 25%, calcination temperature was 400℃ and reduction temperature was 410℃, this catalyst had good catalytic performance on the reaction.The suitable reaction conditions were achieved:reaction temperature was 400℃;reaction at atmospheric pressure;liquid hourly space velocity of raw material of 0.5 h ^-1 ;and the molar ratio of(methanol)/(methyl ethyl ketone)/(water) was equal to 1/1/1.Under such conditions, the conversion of methyl ethyl ketone could achieve 41.7%, and the overall selectivity of methyl isopropyl ketone and diethyl ketone could achieve 83.3%, which was comparable to the conversion of 38.1% and the selectivity of 82.2% achieved by using palladium as the active material.The good stability made this catalyst have good prospects for industrial application.

A yellow crosslinking polymeric dye was prepared by grafting the flavone moiety containing azo chromophore onto polyvinylamine backbone.The λ _max of this polymeric dye in water is 382 nm.The polymeric dye is fixed to silk and cotton with a crosslinking agent, 2-chloro-4, 6-di(aminobenzene-4'-β-sulphatoethylsulphone)-1, 3, 5-s-triazine, which acts as a bridge between the fiber and dye molecules.The fixation of this polymeric dye reaches 99% and the dyed samples exhibit excellent rubbing and washing fastness.

Polymer nanocomposites have a great potential to be a dominant coating material in a wide range of applications in the automotive, aerospace, ship-making, construction, and pharmaceutical industries.However, how to realize design sustainability of this type of nanostructured materials and how to ensure the true optimality of the product quality and process performance in coating manufacturing remain as a mountaintop area.The major challenges arise from the intrinsic multiscale nature of the material-process-product system and the need to manipulate the high levels of complexity and uncertainty in design and manufacturing processes.In this work, the challenging objectives of sustainable design and manufacturing are simultaneously accomplished by resorting to multiscale systems theory and engineering sustainability principles.The principal idea is to achieve exceptional system performance through concurrent characterization and optimization of materials, product and associated manufacturing processes covering a wide range of length and time scales.Multiscale modeling and simulation techniques ranging from microscopic molecular modeling to classical continuum modeling are seamlessly coupled.The integration of different methods and theories at individual scales allows the quantitative prediction of macroscopic system performance from the fundamental molecular behavior.Furthermore, mathematically rigorous and methodologically viable approaches are pursued to achieve sustainability-goal-oriented design of material-process-product systems.The introduced methodology can greatly facilitate experimentalists in novel material invention and new knowledge discovery.At the same time, it can provide scientific guidance and reveal various new opportunities and effective strategies for achieving sustainable manufacturing.The methodological attractiveness will be fully demonstrated by a detailed case study on the design of thermoset nanocomposite coatings.

Mesoporous aluminum-doped titanium dioxide(Al-TiO₂) materials with high specific surface areas were prepared via a solid-state reaction route.The properties of these materials were characterized by X-ray diffraction(XRD), high resolution transmission electron microscopy(HRTEM), energy dispersive spectroscopy(EDS), N₂ absorption-desorption, ultraviolet visible light spectroscopy(UV-Vis) and electrochemical spectroscopy.The results show that the mesoporous structure of the product with ethanol is composed of anatase laced crystal walls with amorphous grain boundaries formed gradually by degradation.Compared with those without ethanol, these samples possess larger crystallite size since ethanol decreases the pore size at higher temperature.With the increase of ethanol amount, however, the crystallite size will grow.The amorphous grain boundaries in the mesoporous material, with a large impedance and low incidental cyclic potential, are difficult to effectively degrade and the phase transformation temperature is changed from 500 to 550℃.The growth rate of Al-TiO₂ crystallites that obeys the quadratic polynomial equation may be controlled.

The removal of solid impurities and separation of target products from a fermentation broth is becoming more tedious with the utilization of lignocelluloses as source of substrate.2,3-Butanediol, an important chemical used widely is also a main product of sugar-based fermentation carried out by Klebsiella pneumoniae.In this study, we investigated the use of salting-out extraction(SOE) that employed a K₂HPO₄/ethanol system consisting of 21% ethanol and 17% K₂HPO₄(mass fraction) to separate 2,3-butanediol from the viscous Jerusalem artichoke-based fermentation broth.After SOE, about 98% of solid matters was removed, and the viscosity decreased from 72.5 mPa s in the original fermentation broth to 4.4 mPa s in the top phase.The partition coefficient and yield of 2,3-butanediol reached 13.4 and 99%, respectively, and 89% of soluble proteins was removed from the broth.The results showed that SOE is an efficient way for isolating 2,3-BD from a highly viscous fermentation broth by removing much of the solid matters within the broth.

Absorption of SO₂ from a SO₂/air mixture with sodium citrate buffer solution was investigated using a rotating packed bed(RPB) in laboratory scale.The effects of operating parameters, such as the rotation speed of RPB, liquid-gas ratio, inlet gas flow rate, inlet concentration of SO₂ in flue gas, sodium citrate buffer concentration and initial pH of absorption solution, on the SO₂ concentration in the absorption solution or removal efficiency of SO₂ were examined.Incremental rate of sulfate radical ions in the absorption solution was also examined.Experimental results indicate that the efficiency of this regenerative process will be improved by using RPB under appropriate operating conditions, and the generation of SO₄^2- will be restrained in the process in RPB.

Borohydrides present interesting options for the electrochemical power generation acting either as hydrogen source or anodic fuel for direct borohydride fuel cells(DBFC).In this work, Mg-Ni composite synthesized by mechanically alloying method, used as the catalyst for the hydrolysis of borohydride, has been investigated.Co-doping treatment has been carried out for the purpose of improving the hydrolysis rate further.The as-prepared and Co-doped Mg-Ni composites with low cost showed high catalytic activity to the hydrolysis of borohydride for hydrogen generation.After Co-doping, the hydrogen generation rate was around 280 ml·g^-1·min^-1.Borohydride would be a promising hydrogen source for fuel cells.

A support(denoted AM) was prepared using pseudo-boehmite and mordenite.Ni-B and NiPtB amorphous catalysts were prepared on the support by the impregnation method followed by chemical reduction with a KBH4 solution.And the catalysts were characterized by X-ray diffraction(XRD), environment scanning electron microscope(ESEM), inductively coupled plasma(ICP), H₂-temperature programmed reduction(H₂-TPR), differential thermal analysis(DTA), and BET.Benzene hydrogenation was used as a probe reaction to evaluate the effect of addition of small quantities of Pt on the NiB/AM catalyst.The results show that Pt can promote the reduction of NiO and the formation of active sites, leading to smaller catalyst particles and better dispersion of active metal particles on the support.The catalytic activity, sulfur resistance and thermal stability were remarkably improved by Pt doping of the NiB/AM catalyst.

Vapor-liquid equilibrium(VLE) data were measured for ternary system water+ethanol+1-butyl-3methylimidazolium acetate([bmim][OAc]), in a relatively wide range of ionic liquid(IL) mass fractions up to 0.8.Six sets of complete T-x-y data were obtained, in which the mole fraction of ethanol on IL-free basis was fixed separately at 0.1, 0.2, 0.4, 0.6, 0.8, and approximate 0.98.The non-random-two-liquid(NRTL) and electrolyte non-random-two-liquid(eNRTL) equations were used for correlation, showing similar deviations.The ternary VLE was also modeled with the correlation from two data sets, with the mole fractions of ethanol on IL-free basis being 0.1 and approximate 0.98.The VLE data were also reproduced satisfactorily.With the eNRTL model, the root-mean-square deviation for temperature is 0.79 K and that for vapor-phase mole fraction is 0.0094.The calculations are in good agreement with experimental data.The effect of the IL on the VLE behavior of the volatile components is also illustrated.