In order to find appropriate form of potential function and determine the dimensionless equation for intermolecular force of helium-4 atoms in molecular dynamics (MD)study, mathematical expressions and application conditions are analyzed.The standard LJ potential function (LJ-12-6)is widely used in the MD simulation for the gas with simple structure because of its simple form and satisfactory precision.For helium, the repulsive part of the potential expressed in minus twelve power of r is inappropriate and exponential function is used instead.EXP-6 potential is one of the potential functions with exponential repulsive interaction and explains the multi-body interaction between liquid helium atoms, in which the attractive part is the main part of the van der Waals attractive interaction. Another potential function with exponential repulsive interaction is the Bruch-McGee semi-empirical piecewise function, but its final expression and application is complex. Tang-Toennies potential function is more appropriate for describing the helium gas with low density. The dimensionless equations of the intermolecular force for helium-4 atoms are obtained based on the dimensional analysis and can be used in the molecular dynamics simulation.

This is the first part of the investigation on PM_2.5 separation by falling liquid cylinder (FLC)in cross-flow of aerosol contaminated fluid. It is suggested that the mechanism for PM_2.5 separation in this system is due to the particle motion to and absorption by the surface of FLC. The driving forces for particle motion are provided by the velocity field and enhanced by the thermophoretic force originated from the temperature gradient in the gas phase close to the surface of FLC when heat transfer is taking place on the surface. A differential equation is deduced for the particle motion towards the surface of FLC and used to calculate the particle trajectory by inverting integration numerically, through which the maximum moving radius of removable particles can be determined. The distance from the maximum moving radius to the surface of FLC is defined as the separation thickness. The ratio of gas volume flow rate through the separation thickness to that passing the whole area of FLC is defined as PM_2.5 absorption efficiency η_i based on a single FLC. The total separation efficiency of a regularly arranged bundle of FLCs is formulated according to a series-connection model. With the basic parameters of FLC bundle geometry, fluid flow as well as heat and mass transfer, the total separation efficiency can be calculated using the algorithm developed in this paper.A demonstration for the calculation is shown with a practical example with gas flow Re_c=170 in a steady smooth cross-flow.The separation efficiency of a single FLC with a diameter of 4 mm is 1.18%.The total efficiency of a bundle, consisted of 195 FLCs series-connected in row with a total length of 1170 mm, is calculated up to 90%.This is the first part of the investigation on PM_2.5 separation by falling liquid cylinder (FLC)in cross-flow of aerosol contaminated fluid. It is suggested that the mechanism for PM_2.5 separation in this system is due to the particle motion to and absorption by the surface of FLC. The driving forces for particle motion are provided by the velocity field and enhanced by the thermophoretic force originated from the temperature gradient in the gas phase close to the surface of FLC when heat transfer is taking place on the surface. A differential equation is deduced for the particle motion towards the surface of FLC and used to calculate the particle trajectory by inverting integration numerically, through which the maximum moving radius of removable particles can be determined. The distance from the maximum moving radius to the surface of FLC is defined as the separation thickness. The ratio of gas volume flow rate through the separation thickness to that passing the whole area of FLC is defined as PM_2.5 absorption efficiency η_i based on a single FLC. The total separation efficiency of a regularly arranged bundle of FLCs is formulated according to a series-connection model. With the basic parameters of FLC bundle geometry, fluid flow as well as heat and mass transfer, the total separation efficiency can be calculated using the algorithm developed in this paper.A demonstration for the calculation is shown with a practical example with gas flow Re_c=170 in a steady smooth cross-flow.The separation efficiency of a single FLC with a diameter of 4 mm is 1.18%.The total efficiency of a bundle, consisted of 195 FLCs series-connected in row with a total length of 1170 mm, is calculated up to 90%.

Based on the mechanism and mathematic model for PM_2.5 particle motion to and absorption by a falling liquid cylinder (FLC)proposed in paper（Ⅰ）, a pilot experiment rig was designed for PM_2.5 separation from heavy-duty diesel exhaust with a falling liquid cylinder absorber (FLCCA).It was built to match an 810 kW diesel engine on a drilling field, with drilling wastewater as the liquid medium circulated in FLCCA. The separation space of FLCCA is divided into two parts according to the function of humidifying or dehumidifying, through which an inner circulation of water vapor is generated to enhance PM_2.5 deposition by the effects of diffusion and condensation. It is shown from the calculation that the separation efficiency for particles of different sizes, within 0.01—1.0 μm, is only slightly changed owing to the combined enhancement effects of the normal component of the superficial gas velocity, the thermophoretic velocity and the water vapor diffusion velocity, all of which are towards the surface of the cylinder. The calculated separation efficiency of a single liquid cylinder (d_c=4 mm)reaches 1.17%—1.36% under the designed operation condition. The total separation efficiency of the FLCCA equipment consisting of 200 rows of staggered arranged FLC is calculated between 90%—93%.An evaporation rate of 461.2 kg·h^-1 wastewater can be obtained in the separation process combined with heat and mass transfer. The particle separation efficiency will decrease with the increase of evaporation rate and liquid cylinder temperature. The separation efficiency will decrease 60% corresponding to a 10℃ increase in the liquid cylinder temperature. The calculation results are satisfactory, verified by the onsite measurement for the efficiency of particle removal from the drilling diesel engine exhausts.5%—10% of negative deviation to the calculated separation efficiency is regularly observed during a half year onsite inspection. It is consistent to the prediction due to the frequent appearance of a positive deviation to the designed liquid cylinder temperature.

Chemical looping combustion（CLC）is an efficient technology with inherent separation of greenhouse gas CO₂.The gas leakage between reactors is an important factor for CLC. Gas leakage was experimentally investigated in an interconnected fluidized bed reactor. There were several possible routes for gas leakage in the reactors: from air reactor (AR)to fuel reactor (FR)and from FR to AR, from FR to cyclone (CL),from loopseal (LPS)to AR and from LPS to FR. The leakage was measured according to different fluidization numbers of AR, FR and LPS. The experimental results demonstrated that the gas leakage between AR and FR could be effectively prevented by adding a LPS between them. A little gas leakage from FR to cyclone was through the downcomer, and the ratio of gas leakage was about 2%, making carbon capture efficiency as high as 98%.The fluidizing velocity of FR had much less effect on the distribution of gas leakage in the two reactors. Moreover, the influence of gas leakage could be prevented by using steam as fluidizing agent.

Temperature-sensitive hydrogel (TSHG), a smart macromolecular material releasing moisture automatically when its temperature exceeds the lower critical solution transition temperature (LCST), has been used for transpiration cooling, mimicking the thermoregulation mechanism of living creatures.The temperature and humidity distributions and heat dissipation characteristics of the TSHG transpiration cooling were measured experimentally using laser interference technique.A numerical model was established and verified with the experimental results.With the numerical model, the effects of environmental temperature, environmental humidity and LCST on the heat dissipation capability of TSHG were further studied.Results show that the cooling of TSHG can quickly lower the temperature of the specimen, with a heat transfer coefficient 15 to 25 times larger than that with common passive heat dissipation methods (natural convection and thermal radiation).The heat transfer coefficient can be significantly increased with the increase of environmental temperature and LCST, and may be slightly declined with the increase of environmental humidity.With the high heat dissipation rate without using a fan, the TSHG transpiration cooling is promising for the thermal management of mobile phones and other portable microelectronics.

The preconditioned density-based algorithm and two-domain approach were used to investigate the fluid flow and heat transfer characteristics of confined laminar impinging jet on a plate covered with porous layer.In the porous zone, the momentum equations were formulated by Darcy-Brinkman-Forchheimer model, and the thermal equilibrium model was adopted for energy equation.At the porous/fluid interface, the influence of stress-jump interfacial condition was analyzed.The governing equations were solved by preconditioned density-based infinite-volume method, with preconditioning matrix for equations of porous domain adopted, aiming to eliminate the equation stiffness of porous seepage flow.The effects of Reynolds number, porosity, Darcy number, ratio of thermal conductivities, and porous layer thickness on the flow pattern and local heat transfer were studied.Results indicate that Reynolds number and porosity do not influence the flow pattern of porous channel strongly, while the effects of Darcy number and porous layer thickness are significant.All the parameters mentioned above have obvious influence on local overall heat transfer performance.

  Condensation heat transfer is widely applied in various condensers.The thick liquid film separates the vapor from the cold wall surface, which causes worsening condensation heat transfer.The passive phase separation concept which inserts a mess cylinder to the condenser tube was proposed, the insert mesh cylinder divide condenser tube into a centre region to flow liquid and an annular region to flow gas to modulate the flow pattern for the first time.In order to verify the novel concept, the air-water two-phase flow experiment was performed, and the experimental results on the stratified flow pattern modulation by the phase separation concept was reported.It was found that all the liquid could be captured into a mesh cylinder (MC)installed in the condenser tube when the liquid level was relatively higher in the horizontal tube, forming the “gas-floating-liquid” mode.When the liquid height was small in the horizontal tube, partial liquid could be sucked by the MC, and the contact area between gas and tube wall was increased.According to the result of the adiabatic two-phase flow pattern modulation, it was expected that the contact area between vapor and cold tube wall was increased, yielding the super-enhanced condensation heat transfer when condensation heat transfer occurred.

Filamentous particle is a kind of non-spherical particles with large aspect ratio.It has been widely applied in industrial and agricultural processes.However, the heat transfer phenomenon about particles is not well understood, especially the filamentous particle.In this study, in order to describe the heat transfer process of filamentous particle, a new mathematical model based on the discrete element method was proposed through the analysis of heat transfer mechanisms.The impact heat transfer between particles, the internal heat conduction and the convection heat exchange between gas and particles were considered in this model, and then it was used to numerically study the heat transfer process of filamentous particles in a fixed bed.Comparing the mechanisms with each other, it showed that the convection heat exchange had greater contribution to the total heat transfer.In addition, the simulation results revealed some internal temperature rules in filamentous particles under different operating conditions.

Dispersed flow is characterized by the flow where one phase is dispersed in the other continuous phase.The force from the continuous phase, pipeline and pump can lead to drop transformation, break-up and coalescence.Drop size and distributions formed during oil-water dispersed flows have great influence on flow parameters, such as pressure drop.The study on drop size is significant in characterizing oil-water two-phase flows.A predictive model for calculating Sauter mean diameter in oil-water dispersed flows was developed, based on the study of a balance between turbulent kinetic energy and surface energy of dispersed liquid drops, approximate relationship of radial velocity fluctuation and friction velocity, and shear stress of pump.Data on drop size distributions formed during oil-water flows were obtained by using high speed camera and microscope.The experiments were carried out with both water and oil as continuous phases, in a 25.4 mm horizontal stainless-steel pipeline.Volume flow rates from 0.8 to 3.0 m³·h^-1 and oil phase volume fractions from 10% to 90% were used.An isokinetic sampling system was used in droplet sampling and size measurement.From comparison with experimental data under different flow rates, temperatures and dispersed phase volume fractions, the model predictions were accurate.Model results showed that shear and disturbance of pump made drop size smaller.Pump played a significant role in drop break-up and drop size distributions.

Twisted tube heat exchanger is a high efficiency self-supporting heat exchanger based on traditional shell and tube heat exchanger.Twisted tubes are used outside of tube, forming self-supporting structure on shell side instead of baffles.In this study, a new type of twisted trifoliate tube with three half oval and transitional arc was developed according to the heat transfer enhancement mechanism of twisted elliptic tube.The standard k-ω model was used for numerical calculation of turbulent flow in circle tube and twisted elliptic tube, and the relative error was acceptable in engineering applications.Then a numerical study on heat transfer and flow resistance of twisted trifoliate tube was carried out with this turbulence model.The results showed that the heat transfer of twisted trifoliate tube was enhanced, by comparison of Nusselt number with the twisted elliptic tube.Although the pressure drop increased a lot, comprehensive performance of twisted trifoliate tube was about 13% higher than that of twisted elliptic tube.Due to the special shape of cross section, the helical flow in the twisted trifoliate tube was more complicated than that in the twisted elliptic tube, and the synergy between velocity field and temperature gradient field was better.The effect of Reynolds number in the range of 4000—20000 was also studied.As Reynolds number increased, the Nusselt number and pressure drop increased, but comprehensive performance was worse. The heat transfer enhancement of twisted trifoliate tube was evident, especially at low Reynolds number. The influence of inscribed circle diameter on Nusselt number and pressure drop was greater than that of transitional arc diameter.Comprehensive performance of twisted trifoliate tube was better at smaller inscribed circle diameter and transitional arc diameter.

The natural convection heat transfer characteristics and mechanism for copper micro-wires in water are investigated experimentally and numerically.The wires with diameters of 39.9 μm, 65.8 μm and 119.1 μm are placed horizontally in a sealed tube.Using Joule heating, the heat transfer coefficients and Nusselt numbers of natural convection for micro-wires in ultra pure water are obtained.A three dimensional incompressible numerical model is used to investigate the natural convection, and the prediction with this model is in reasonable accordance with the experimental results.With the decrease of micro-wire diameter, the heat transfer coefficient of natural convection on the surface of micro-wire increases, while the Nusselt number of natural convection becomes smaller.The change rate of Nu  decreases apparently with the increase of heat flux and the decrease of wire diameter, attributed to the thinner boundary layer.The thickness of boundary layer on the wall of micro-wire becomes thinner with the decrease of diameter, but the ratio of boundary layer thickness to the diameter increases.As a result, the proportion of conduction in total heat transfer increases, while the convective heat transfer decreases.The velocity distribution, temperature field and the boundary layer in the natural convection are compared with those of conventional tube.It is found that the boundary layer around the micro-wire is an oval-shaped film on the surface, which is different from that around the conventional tube.This apparently reduces the convectional intensity in the natural convection and the heat transfer presents a conduction characteristic.

A new approach to mixing enhancement in regular single screw extruder was presented with axial reciprocating motion of barrier to generate chaotic mixing.Such a model with the barrier lower than the screw channel was proposed and the corresponding mathematical model was developed.The periodic flow and mixing performance of Newtonian fluid in such an extruder were numerically simulated.The finite volume method was used and flow domain was meshed by staggered grids with the periodic boundary conditions of the barrier motion being imposed by mesh supposition.Fluid particles tracking was carried out by the fourth order Runge-Kutta scheme.Distributive mixing was visualized by the evolution of passive tracer initially located in different positions.The growth of interface stretch of the tracers with time and cumulative residence time distribution (RTD)were also obtained.The Poincaré section was used to reveal the geometrical scale of chaotic mixing, and the results confirmed that the axial reciprocating motion of the barrier could lead to chaotic mixing to enhance mixing performance.The new approach could make the broadening of RTD much narrower than that in fixed barrier geometry along with the much smaller mean residence time.In contrast, the mixing performance in the conventional single extruder with a fixed barrier was also investigated.

Tri-propargyl isocyanurate (TPIC)was synthesized using isocyanurate and propargyl bromide by phase transfer catalyst reaction.The chemical structure of TPIC was characterized by FT-IR, ¹H NMR. The analysis of TGA curve referred to the cured TPIC displayed that the preliminary thermal decomposition temperature of cured TPIC was about 375℃ and the char yield was 75% at 800℃.According to DSC curves used to investigate the thermal curing behavior of TPIC, the curing kinetic parameters were calculated by several thermo analysis methods, respectively, such as Kissinger, Flynn-Wall-Ozawa and Friedman-Reich-Levi, and the apparent activation energy was 46.81, 48.70 and 40.92 kJ·mol^-1 respectively. The order of curing reaction obtained by the three methods all approached 1 and the mechanism was further discussed.Based on comparative analysis of the above three methods, they all can properly simulate the thermal curing process of TPIC.

Based on the current worldwide trend of using 1,2,4,5-tetraaminobenzene (TAB)and its hydrochloride (TAB·4HCl)in new materials and absence of relevant study in China, a new method of synthesizing polymer grade monomer TAB·4HCl was studied, systematic analysis and optimization was made for the synthesis process, and the relationship of the ammonolysis selectivity with pressure and temperature were clarified. The results showed that 4,6-dinitro-1,3-phenylenediamine (DADNB)was prepared by double ammonolysis reaction at 1.0 MPa pressure in 1,4-dioxane solvent from 1,3-dichloro-4,6-dinitrobenzene (DCDNB)ammonia as ammonolysis agent, and then hydrogenated in methanol solvent, the solution containing TAB was obtained after the hydrogenation liquid was decolored with active carbon, then TAB·4HCl was obtained by adding hydrochloric acid and concentrating under reduced pressure and filtering, with 99.3% purity and 79.7% total yield. Finally, with synthesis reliability of 99% and good practical value, a plan for solvent recovery and recycling was proposed for commercialization of TAB·4HCl production.

For the high specific activity, thermo-stability and soluble expression of Bacillus thermocatenulatus lipase BTL2, this paper is focused on the fermentation of lipase BTL2 used for the enzymatic preparation of biodiesel as the main purpose, using E. coli expression system.Recombinant plasmid of BTL2 was constructed under the T7 promoter control after removal of its signal sequence and codon optimization.The voluminal activity of the codon-optimization recombinant strain improved significantly with respect to a control strain.Lipase activity of 12583 U·ml^-1(tributyrin)was obtained in the 5 L fermentor experiment in 15 hours (8 hours induction), with high-level lipase productivity of 839 U·ml^-1·h^-1.BTL2 produced by E.coli showed the capability for the preparation of biodiesel with methyl ester yield of 94.8% in 48 h.

For a batch binary stripping distillation under ideal operating condition, with constant reboil ratio and infinite number of theoretical plates, a function was derived in this study, and the variation of instantaneous constant composition region may be evaluated by the value of this function.Thus the calculation method for the minimum reboil ratio of the batch binary stripping distillation was improved.A formula was deduced for computing the minimum total vapor capacity of the distillation under constant residual fraction composition and ideal operating condition.The results show that to achieve high yield and high average concentration of heavy component in the residual fraction, the energy consumption of the batch stripping distillation at constant reboil ratio is higher than that at constant residual fraction composition because the low efficient consumption of total energy (which is the inefficient total energy consumption with infinite number of theoretical plates)accounts for a large portion of the total energy consumption.

Simultaneous solving principles of dynamic optimization problems based on differential-algebraic equations (DAE)were analyzed, and a concise description of the full discrete model based on Lobatto collocation was proposed. For the same original dynamic model, even though the number of discrete elements could be changed in each optimization process, the structures of the optimal solutions retained the similarity. A fast solving strategy of dynamic optimization, named self-heating approach, integrating the warm-start technology for the interior point method and the initial value setting method of barrier parameter, was proposed, and the novel solving approach used low-density discrete solution to approximate the high-density discrete solution. Finally, a test problem of crystallization process was solved by the proposed strategy, and the excellent results confirmed that the solving time could be cut to less than 1/6.

As industrial processes become more complex, on-line monitoring of the processes are gaining importance for plant safety, maintenance, and product quality. To handle the nonlinear problem for process monitoring, a novel fault detection method was proposed by combining locally linear embedding (LLE)with support vector data description (SVDD).Firstly, LLE manifold learning algorithm was performed for nonlinear dimensionality reduction and thus the main feature of the collected data was extracted. Then, the mapping matrix from data space to feature space was calculated by using local linear regression which guaranteed the real-time property of the algorithm. Next, in order to avoid the influence of data noise on the traditional statistics, a fault detection model was established based on SVDD in the feature space, while a corresponding statistic and its control limit were determined at the same time. Finally, the feasibility and efficiency of the proposed method were shown through a numerical simulation and the Tennessee Eastman (TE)benchmark process.

The existing calibration algorithms for Raman spectral quantitative analysis, such as principal component regression, partial least squares and support vector machine need a large number of training samples and the regression model may have unsatisfactory generalization ability. Indirect hard modeling (IHM)is a recently introduced method for spectral quantitative analysis, which is used to analyze spectra with highly overlapping band and nonlinear variation. This method can be used to build a calibration model with high generalization ability only by a few training samples. However, all the spectra of pure-components in the mixture is required in IHM method. Obviously, this condition is difficult to achieve in practical applications. To overcome the limitation of IHM, a novel method based on Voigt function for spectral quantitative analysis, i.e., direct hard modeling (DHM), was presented. The novel method did not require the pure-component spectra. By DHM algorithm, the characteristic peaks of every pure component in the spectra of mixture could be fixed, and then a linear calibration model could be built based on the areas of unique peaks and the concentration of pure-components. The DHM algorithm was successfully demonstrated while testing on the quantitative analysis of xylene mixture in a PX unit. Experimental results showed that the DHM algorithm had the advantages of robustness and fewer training samples.

Because industrial drying is one of the most energy-intensive batch unit operations, a scheduling plan of multi-effect drying was studied. Based on the rate of drying curve, operation time in each effect of multi-effect drying process was designed to be the same. An optimal plan and scheduling of multi-effect drying model was established. Defining the number of effects and the drying time as the decision variables, the minimum annual cost model of the batch n-effect drying process could be expressed as a mixed-integer non-linear programming (MINLP)problem, which could be solved by the GAMS software. An example of slit drying process (effect from 1 to 5) was analyzed with the model. The results indicated that the 4-effect drying was the optimal, and it could save 26% of the cost each year compared to the 1-effect drying. Optimal Gantt chart of scheduled process was also presented. According to the Gantt chart, the least period and the optimal operation process could be determined. It indicated that the batch multi-effect drying process could achieve continuous production.

Water network integration as an important water conservation technology has attracted more and more attention. The fixed flowrate operation and fixed contaminant load operation are two typical processes in industrial practice. Different from fixed contaminant load operations, fixed flowrate operations are the quantity controlled units that do not involve mass transfer. To consider recycling, this paper improves the concepts of the concentration potentials，which were proposed in the literature for fixed contaminant load systems with multiple contaminants. The improved concepts can be applied to targeting and design for the water system with multiple contaminants of fixed flowrate processes. In the design procedure, the performing order is determined by the values of concentration potential of demands (CPDs): the process with the lowest CPD value should be performed first. While satisfying a demand stream, the internal sources streams with descending order of maximum quasi-allocation amounts will be considered first, and the external sources with descending order of cost will be used in turn. The results of the illustrated examples show that the method proposed can design fixed flowrate networks with multi-contaminant easily. It is shown that the proposed method is simple and effective.

Chemical processes are always of great dynamic fluctuations and uncertainty.An on-line feedback optimization with model uncertainty was presented to resolve the problem.The process dynamic model was discretized as difference equations according to a specific period, and dynamic optimization was carried out based on the difference equations.The profit at the end of optimization horizon was used as optimization objective, manipulation variables were used as optimization variables, a non-linear program was used as optimization algorithm.On-line feedback was implemented according to measured variables after the optimization results were adopted.In the difference equations correction terms were introduced, which could be calculated when the actual values of process variables were imported into the difference equations.Simulations showed that compared with steady optimization, feedback optimization not only could also make the process run at the optimum operating point but also could have high real-time quality.

 Multivariate statistical process monitoring (SPM)has gained tremendous attention in both academic and industrial circles over the past two decades.Most of the existing statistical monitoring algorithms are established on the assumption that the monitored industrial processes work under single operating mode.However, in order to meet the demands of markets, multimode has become a significant feature of modern chemical industry.To meet the monitoring demands of multimode processes, a global monitoring strategy based on locality preserving projection (LPP)and Gaussian mixture model (GMM)is proposed.By integrating probability indices of each operating modes, the online monitoring is guaranteed to be continuous and uninterrupted.The efficiency and effectiveness of the novel monitoring strategy is verified though the Tennessee Eastman (TE)simulation platform.

For forecasting the key technology indicator conversion velocity of vinyl chloride monomer (VCM)in the polyvinylchloride (PVC)polymerization process, a soft-sensor modeling method based on dynamic fuzzy neural network (D-FNN)was proposed.Firstly, kernel principal component analysis (KPCA)method was adopted to select the auxiliary variables of soft-sensing model in order to reduce the model dimensionality.Then the learning algorithm of D-FNN included the rule extraction principles, the classification learning strategy, the precedent parameters arrangements, the rule trimming technology based on error descendent ratio and the consequent parameters decision based on extended Kalman filter(EKF).The proposed soft-sensor model could automatically decide the fuzzy rules so as to realize the nonlinear mapping between input and output variables of the discussed soft-sensor model.Model migration method was adopted to realize the on-line adaptive revision and reconfiguration of soft-sensor model.In the end, simulation results showed that the proposed model could significantly enhance the prediction accuracy and robustness of the technico-economic indices and satisfy the real-time control requirements of PVC polymerization process.

By using maximum bubble pressure method (MBPM), the dynamic surface tension (DST)of styrene (St)and methyl methacrylate (MMA)surfactant-free emulsion copolymerization in aqueous solution of poly(ethylene glycol)(PEG)or without PEG was studied.It was observed that PEG could slow down copolymerization rate of the system.The conversion of the system was above 98% without PEG after reacting 50 minutes, approaching the end point, while, it was just 49% for the system with PEG.In the presence of PEG, the copolymer of St/MMA initiated by potassium persulphate could become a kind of material that had stronger surface activity.This kind of copolymer with lower surface tension was formed when the conversion was just 5%.Lower surface tension was the force that drove copolymer into particle pile to form small and stable particles, and gave the particles enough surface electric charge to escape from the particle pile eventually.

The complex system of eight alkyl aryl sulfonates（AAS）synthesized in the laboratory/n-butanol/n-decane/NaCl water microemulsions were studied with the Winsor phase diagram.The effects of average molecular weight and distribution of AAS on the characteristic parameters were discussed.The results showed that the values of formation salinity (S₁)，disappearance salinity (S₂)，length of salinity (ΔS)，optimal salinity (S^*)of middle phase decreased while the values of optimal middle phase volume (V^*)and solubilization ability (S.P)increased with increasing content of high molecular weight sulfonate.With increasing average molecular weight of AAS, the values of S₁，S₂，ΔS，S^* decreased while the values of V^* and S.P increased; also the values of lgS^*, V^*, S.P changed as a linear function of average molecular weight of AAS.

Soybean 7S globulin-dextran covalent conjugate was prepared via Maillard reaction in macromolecular crowding condition in liquid system, the covalent attachment of dextran to globulin was confirmed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE).Gel permeation chromatography (GPC)，Haake rheometer, fluorescence spectrophotometer and UV-visible spectrophotometer were used to confirm the formation of covalent conjugate and analyze the functional characteristics of protein after the covalent attachment of polysaccharide.The results showed that 5% 7S globulin and 15% dextran in pH7.0, at 95℃ for 6 h, obtained higher degree of grafting.Soybean 7S globulin and dextran macromolecule covalent conjugate was formed.GPC spectra showed that the reaction products of 7S globulin and dextran were composed of a mixture of various molecular weights.Within a specific range, apparent viscosity of the covalent conjugate gradually increased with increasing reaction time.The emulsification activity of covalent conjugate increased by about 221.7%.

In glutamate fermentation, initial biotin content in the medium varies with the corn slurry originating sources or even production batches, and this variation affects fermentation performance and stability.In this study, activities changes of the key enzymes at metabolic nodes of pyruvate, isocitrate and α-ketoglutarate when initial biotin content was at normal/improper levels, particularly when initial biotin content was at improper levels but adopting faults-rescue measures during fermentation were carefully investigated.When initial biotin was in shortage, all activities of the key enzymes responsible for catalyzing the main glutamate synthesis route were weakened, in particular, the activity of α-oxoglutamate dehydrogenase complex was inactivated and energy metabolism completely relied on glyoxylate cycle.When biotin in shortage was determined and biotin was supplemented, the enzyme responsible for the central metabolic route, pyruvate dehydrogenase returned to the normal level, and TCA cycle turned to be the main energy metabolism route once again.On the other hand,when initial biotin was in excess, all activities of the key enzymes were activated except pyruvate carboxylase and glutamate dehydrogenase. When biotin in excess was determined and Tween 40 was supplemented, the activities of two key enzymes responsible for glutamate synthesis, pyruvate dehydrogenase and isocitrate dehydrogenase, remained at high levels.At the same time, activities of α-oxoglutamate dehydrogenase complex and isocitrate lysase declined to the normal levels.The final glutamate concentration of the failure-likelihood fermentations could be recovered back to the control level (75—80 g·L^-1)by using the relevant rescue measures.Furthermore, final glutamate concentration could be further increased and reach 87 g·L^-1, which was over 108.8% of that obtained in the control case, when adopting the “two-stage” optimal operation mode based on combined adjustment of initial biotin content and Tween 40 addition.

TiO₂/ZnO nanorode arrays (TiO₂/ZnONRs)and TiO₂ nanotube arrays (TiO₂NTs)were assembled on Ni substrate anodes by the layer by layer (LBL)process.The anode of an alkaline electrolytic cell for water electrolysis was irradiated by ultraviolet light.The water electrolysis process was coupled with photocatalytic decomposition of water for hydrogen preparation.A new process for hydrogen preparation of water electrolysis assisted by photocatalysis (WEAP)was proposed and experimentally confirmed.FE-SEM, XRD, EDS，UV-Vis and WEAP measurement were used to characterize the structure and performance of modified Ni anode.The rate of hydrogen evolution in WEAP of modified Ni anode with TiO₂/ZnONRs was higher than that with TiO₂NTs.Comparing to sole Ni anode, the rate of hydrogen evolution of TiO₂/ZnONRs and TiO₂NTs modified Ni anode was increased by 1.75 and 1.50 times respectively.And the consumption of electric power was decreased by 10.5% and 9.0% respectively.

Aqueous ammonia has potential to capture the large amounts of SO₂ and CO₂ in coal-fired flue gas.The study in this area, however, is very limited.The reaction of SO₂ with aqueous ammonia is much faster than that of CO₂, so SO₂ in the flue gas may have impact on capture of CO₂.A series of experimental tests were conducted in a wetted wall column system, and the impact of SO₂ concentration and SO₂ loading on CO₂ flux and coefficient of mass transfer using aqueous ammonia［1%—7%（mass)］was analyzed at various absorption temperatures(20—80℃)and CO₂ concentrations［5%—20%（vol)］.The results show that when SO₂ concentration increases from 0 to 11428 mg·m^-3, CO₂ mass transfer flux and coefficient decrease to one half of the original values.When SO₂ loading［0.1—0.4 mol SO₂·（mol NH₃)^-1］increases, CO₂ mass transfer flux and coefficient also have significant reduction.Higher ammonia concentration and absorption temperature can effectively improve CO₂ mass transfer flux and coefficient, and relatively reduce the impact of SO₂ on CO₂ mass transfer.CO₂ mass transfer flux increases when its concentration increases, and its mass transfer coefficient decreases.

The variations of DHA, OUR, ORP，ATP and the indexes of water pollution were measured and studied during treatment of wastewater from tomato paste processing plant (Shihezi Tianye Tomato Products Co., LTD)using aerobic activated sludge.The results showed that for continuous treatment there was the correlation between DHA and COD removal rate as well as influent pH, between OUR and F/M as well as temperature, between ORP and DO as well as influent COD, and between ATP and MLSS as well as SVI, respectively.The measurement results were essential consistent with the actual running, indicating that compared with traditional methods measuring sludge activity, the measurement of DHA,OUR,ORP and ATP could be more suitable for wastewater treatment from tomato paste processing plant.Their advantages were of high accuracy and more fine control.

Based on a theoretical analysis for every items of alkali needed in phosphorus recovery process by struvite, a formula for calculation of alkali amount needed was established, and used for estimating the alkali amount at different process conditions.The values calculated were compared with the experimental one measured and obtained in a double pipes/CO₂ stripping packed layer phosphorus recovery pilot unit, and the results showed that average relative error between them was 18.73%, indicating that the theoritical calculation is reliable and the formula can be used for engineering estimation of alkali needed. Due to CO₂ and NH₃ stripping with packed layer and air, alkali amount needed saved about 20% for the double pipes/CO₂ stripping packed layer phosphorus recovery unit.The alkali needed increases linearly with pH, ammonia-nitrogen/phosphorus molar ratio and the initial concentration of phosphorus.However, it should be noted that the effect of magnesium/phosphorus molar ratio was weak.The optimal operation conditions for reducing treatment costs could be as:pH9.20—9.30, molar ratio of ammonia-nitrogen/phosphorus and magnesium/phosphorus 3.0—5.0 and 1.1—1.2 respectively.Reagents consumption for phosphorus recovery process depends on initial concentration of phosphorus in wastewater and process conditions.For example, when initial concentration of phosphorus is 77.5 mg·L^-1, N∶Mg∶P=5∶1.2∶1, pH=9.20, alkali amount needed is 0.3315 kg and magnesium chloride containing six crystallization water is 0.6099 kg for treating 1 ton of wastewater, the cost about ￥0.828 and ￥ 0.396 respectively, and ￥1.224 as total, in which cost of alkali takes about 67.6%.

The mechanism of removing As (Ⅲ)with ferric chloride was studied by analysis of residue samples by XPS, SEM, TEM and IR in this paper.The results showed that As(Ⅲ)was removed mainly by adsorption and coprecipitation.It was indicated by XPS analysis that redox reaction occurred when ferric choride was used.It was also observed from the SEM and TEM imagines that, with rising of pH value, residues changed from particles to irregular floculents, size of particle gradually increased, and there were adsorbed species at surface of these particles.A conclusion could be obtained from IR results that there was no ferric arsenate in the residues.

Based on single photosynthetic bacterial cell in a batch reactor for bio-production of H₂, a model was established for transport of glucose across membrane and production of hydrogen.The concentration distribution of glucose and hydrogen in the bioreactor was estimated, and the effect of light wavelength and intensity on glucose concentration in outside of cells as well as concentration profiles of hydrogen was investigated.The results showed that substantial agreement was achieved between the experimental results and model prediction values; and at wavelength and intensity of light 590 nm and 8000 lx respectively, the concentration of glucose was the lowest, and concentration of hydrogen was the highest outside cells.

The change of biodegradation activity of activated sludge was studied during nitrification and denitrification course to remove organic matters in a SBR reactor by determination of TTC-ETS activity at various concentrations of NH^{+₄   - N and organics in influent.The experimental results show that TTC-ETS activity could be a good indicator for the biological reactions progress in SBR process; in a period of the process biological activity for biodegradation of organic matter, nitrification and denitrification decreased gradually from 39.68 mg·(g·h)-1 to 21.89 mg·(g·h)-1 and last to 6.58 mg·(g·h)-1 at COD and concentration of NH+₄   -N 300 mg·L-1  and 40 mg·L-1, respectively.For TTC-ETS activity there appeared in general characteristic points with the progress of the process, which pointed toward the start and end of different reaction stages.It was found that operational conditions had no significant influence on the change rule of TTC-ETS activity, but could affect the time appearing these characteristic points.These characteristic points on DO, ORP and pH curves marked different reaction stages, and there was a good correlation between the times they appeared and TTC-ETS activity, COD, as well as three nitrogen curves (ammonia, nitrate and nitrite).}

Performance of a new URB(upflow-refluence-biomembrane)reactive column using MT(metallothionein)genetic engineering bacteria for treatment of heavy metal element as Cd,Ni in waste water was studied.The effect of filler such as active carbon, haydite, core carbon and aquamats ecobase on removal of Cd and Ni is also discussed.For all supported MT-genetic engineering bacteria fillers packed in column, the removal rate is all higher than 43%.For aquamats ecobase packing, the removal rate of Cd and Ni can reach up to 99.4% and 85.2% respectively, indicating that aquamats ecobase should be the most engineering filler studied.Under the conditions: flow rate 2 L·h^-1, pH 9 in influent, reaction temperature 35℃, using URB reactive column and aquamats ecobase as filler, effect of heavy metal load-rate on the removal of Cd and Ni was investigated.The results showed that the optimum heavy metal load-rate for the URB reactor is 0.481 mg·mg^-1.At the conditions: quiescence immersing aquamats ecobase filler in the 10% MT-genetic engineering bacteria liquid for 24 h, influent concentration of Cd²⁺，Ni²⁺ 100 mg·L^-1, effect of reactive column temperature on the removal of Cd and Ni was also studied.The results showed that the optimum temperature is 35℃.The results demonstrate that MT-genetic engineering bacteria is of good compatibility and tolerability to Cd and Ni.The combination process of URB-reactor with MT-genetic engineering bacteria could be used for effective removal of heavy metal contaminant in waste water.

In this report, the chemotaxis properties of an oil-degrading strain 6-1B using the swarm plate assay and the characteristics of chemotaxis movement towards crude oil are described.The strain 6-1B, isolated from formation water samples from Daqing Oilfield, China, was determined as Pseudomonas sp.(99.9% identity)by 16S rDNA sequence analysis and physiological and biochemical characteristics.The organism was shown to utilize crude oil as the sole carbon and energy source.Cell growth and crude oil degradation occurred at 42℃.As many natural isolates of Pseudomonas sp., strain 6-1B was highly motile with a polar flagella and was found to be chemotactic towards a variety of metabolites including glycine, glycerol and sucrose.Moreover, chemotaxis was also observed towards crude oil and n-alkenes such as tridecane.The maximum chemotaxis rate was 35 μm·s ^-1, while the maximum bacterial concentration occurred in the oil-water interface.

Based on the two-phase flow-induced crystallization model, according to the Avrami equation and the relationship between the nucleation rate and the first normal stress difference, spectral methods were used to calculate conformation tensor distribution function of amorphous phase and the orientation tensor distribution function of semi-crystalline phase, and then calculate the nucleation rate and crystallinity.The shear impact on crystallization rate of the system was predicted, and the evolution of the number of activation nucleation and crystal orientation was simulated.The results showed that the shearing actions had a significant impact on polymer crystallization kinetics, but the effect of shear on acceleration of polymer crystallization was limited, as the shear intensity increased, the effect on crystallization acceleration became no longer obvious.

A series of waterborne polyurethanes (WPUs)with 50% solid content were prepared through a prepolymer process.The properties of the dispersion and its film were characterized by Fourier transform infrared spectroscopy (FT-IR), particle size analyzer, X-ray diffraction (XRD), differential scanning calorimetry (DSC)and tensile test machine.The influence of HDI/IPDI mole ratio on the properties of waterborne polyurethane dispersion, its film and the adhesive strength to EVA/PVC substrate were studied.The relationship between adhesive strength and time was analyzed.The results indicated that the WPU dispersion, crystallinities of soft segment and hard segment were improved with increasing HDI/IPDI mole ratio, while tensile strength of films significantly increased and then showed a small decrease, and the elongation at break increased first, then decreased.WPU films exhibited excellent waterproof performance, and the amount of water absorption was as low as 5.0%（mass）.The test result showed that all WPUs prepared exhibited outstanding adhesive strength to EVA/PVC substrate, and the joint failure of EVA/PVC substrates was all caused by the failure of interface after 24 h.With increasing mole ratio of HDI/IPDI,the adhesive strength of adhesive to EVA/PVC substrate increased, and when the mole ratio of HDI/IPDI was 7∶1, the performance of WPU adhesive was the best.

Ethylene-propylene diene monomer rubber-g-γ-methacryloxypropyltrimethoxysilane (EPDM-g-KH570)/SiO₂ nanocomposites were prepared with the in-situ sol-gel method.Firstly, the EPDM-g-KH570 was prepared by co-irradiation.Then the graft product was soaked into tetraethylorthosilicate (TEOS).Finally, the swollen material was put into butylamine solution to catalyze the sol-gel reaction of the precursor TEOS.The influences of different solvents and concentrations of butylamine on sol-gel reaction of TEOS and the particle size of the silica obtained were studied.The morphology and microstructures of EPDM-g-KH570/SiO₂ hybrid were characterized by FT-IR and SEM.The results showed that the swelling of TEOS and the equilibrium conversion of TEOS were improved significantly by grafted KH570. Compared to the ungrafted EPDM, SiO₂ average diameters were smaller and had a good dispersion in the grafted EPDM.

A facile and eco-friendly route was presented to in-situ synthesize and immobilize silver nanoparticles (AgNPs, 6.9—8.2 nm)using Aspergillus nigeras both reducing agent and support through the non-enzymatic reduction mechanism.The well-dispersed AgNPs/mycelium composite exhibited excellent antimicrobial activity against E.coli, and the minimal inhibitory concentration (MIC)was 217—434 mg·L^-1(based on the mass of AgNPs/mycelium)or 8—20 mg·L^-1(based on the mass of AgNPs).Although increasing reaction temperature from 30℃ to 60℃ resulted in increase of silver loading, the mean size of the AgNPs became larger at the same time, leading to the decrease of antimicrobial activity.The change of pH value from 9.5 to 11.5 promoted the reaction rate and shortened the reaction time (from 144 h to 24 h), whereas no significant effect was observed on the antimicrobial activity. Finally,the release of AgNPs and Ag⁺ from the AgNPs/mycelium composite was investigated. The results suggested that the prepared AgNPs were supported firmly on Aspergillus niger and the release of Ag⁺ was 1.7—6.8 mg per gram of AgNPs/mycelium.Furthermore, increasing reaction temperature or pH value led to the decrease of Ag⁺ release.

Taking adipic acid dihydrazide (ADH)as cross-linker, a porous polyacrylate latex film was formed at ambient temperature from polyacrylate core-shell emulsion incorporated with diacetone acrylamide (DAAM).The effects of shell composition of core-shell emulsion, ADH content, porogen content and porogen type on the permeability of latex film were investigated.The results showed that the latex particles with BA/(MMA+AA+DAAM)=2.5/2.5（mass ratio） in shell composition could not fuse completely into a continuous dense film, but formed granular deposits.Then, a loose and porous latex film with high permeability was formed with the help of porogen.The investigation further revealed that the restricted movement of polymer chains contributed to the maintenance of porous structure in the latex film and then high permeability.In addition, the study indicated that the latex films with high permeability were formed with glucose or polyethylene glycol (PEG300)as porogen.

The glass transition behavior of chitosan was studied through molecular dynamics (MD)simulation with the range of temperatures from 343 K to 543 K, and the glass transition temperature T_g of chitosan was obtained.The molecular mechanics force field used in this study was COMPASS(condensed-phase optimized molecular potentials for atomistic simulation studies)which has been validated for chitosan in some previous communications.Under the COMPASS force field and in the NPT ensemble, the specific volumes, radii of gyration and energies of chitosan at different temperatures were calculated.The results showed that the specific volume, radius of gyration and internal energy of chitosan regularly changed along with the change of temperature, and the transition began at the T_g point.The calculated T_g, especially the value obtained from the slop transition of the radius of gyration vs temperature curve, was in good agreement with the experimental results.Therefore, the radius of gyration has great influence on glass transition, and the MD simulation method is a useful tool to predict the glass transition temperature of polymer.

The SiO₂/PU superhydrophobic coatings were prepared by using rapid expansion of supercritical CO₂.Firstly, by modifying nano-silica with thirteen fluoride octyltriethoxysilane(F-silane)andγ-(methacryloyloxy-oxy)propyl trimethoxysilane (KH-570), nano-silica particles containing double bonds were prepared and then were dispersed in supercritical CO₂.At the same time, a polyurethane coating containing double bond and an initiator was prepared.Subsequently, the nano-silica particles were injected onto the polyurethane coating surface making use of rapid expansion of supercritical CO₂, and then were dried by heating to form a stable rough structure because of the nano-silica particles being grafted on the polyurethane coating.This way, a SiO₂/PU film with superhydrophobic surface was obtained.Moreover, the effect of nozzle temperature, reaction kettle temperature and pressure, ratio of coupling on coating hydrophobicity and surface roughness were studied.The results showed that the static water contact angle of the coating could be up to 169.1°±0.6°.When the temperature of the nozzle and the reaction kettle were all 90℃, the reaction kettle pressure was 16 MPa and ratio of F-silane to KH-570 was 1∶1, the surface roughness was 7.3 μm, the obtained film had good super-hydrophobicity, and had excellent scratch resistance.In addition, the superhydrophobic coating had good performance and was environmental, and also could be produced cost-effectively on a large scale.

By means of Ostwald ripening self-assembly process, Ag nanoparticles substrates of various densities and sizes were fabricated.In the investigation of surface enhanced Raman scattering (SERS)and surface enhancement fluorescence (SEF)using crystal violet (CV)as a probe molecule, it was found that Raman and luminescence intensity varied in parallel with the Ag nanoparticles size.With increasing time of self-assembly process, the changes of intensity trended to be stabilized.The results indicated that SERS and SEF could be optimized by Ostwald ripening self-assembly.The results obtained could provide reference when developing long-term stability and cost-effective bio-chemical sensors based on SERS and SEF.

Isobutylene-isoprene rubber(IIR)/clay nanocomposite was synthesized by shearing mixing of pre-swollen orgnomontmorillonite (S-OC)with IIR.The experimental results demonstrated that the properties of the as-prepared nanocomposite (IIR/S-OCNs)were superior to those of nanocomposite prepared with the traditional melt intercalation method (IIR/OCNs).When the loading of clay was 10 phr, tensile strength and tear strength were about 4.96 and 0.22 times higher than those of pure IIR. When the loading of clay was 5 phr, gas permeability of the IIR/S-OCNs was reduced markedly by 21.88% and 12.50% compared to pure IIR and IIR/OCNs.The novel strategy united the advantages of melt method and solution method together.The IIR/clay prepared by the novel method could be applied in rubber products, which required high gas barrier property, such as tire inner tube, inner liner and applied in other elastomer materials.

Activated carbon serving as electrode materials for supercapacitors were prepared by a polymer blend carbonization and steam activation method using phenol formaldehyde resin (PF)as carbon precursor and polyethylene glycol（PEG）as pore-forming agent.Heating program was determined by the pyrolysis behavior of PF, PEG and their blend (PF-PEG)in the heating process characterized by the TG.The specific surface area and pore structure parameter of the activated carbon were calculated by the N₂-BET method.Galvanostatic charge-discharge, cyclic voltammetry and alternating current impedance were used to characterize electrochemical performance of activated carbon.Activation temperature, water vapor flow rate and activation time affected the pore structure and electrochemical performance of activate carbon.The results showed that with increasing activation temperature and increasing activation time, the capacitance increased.At activation temperature of 900℃, steam flow rate of 1 ml·min^-1 and activation time of 2 h, the structure and properties of prepared activated carbon were better.Its pore size was mainly smaller than 2 nm.With electrolyte solution 1 mol · L^-1 KOH/H₂O solution，its capacitance reached 105.4 F·g^-1 with a traditional three-electrode test system, and cycling performance was better.

The effects of calcined phosphogypsum on the hydration process of the autoclaved silicate products were investigated in this paper.The influence of adding phosphogypsum calcined at different temperatures on the hydration rate of autoclaved silicate products was analyzed for un-reacted Ca(OH)₂ content and combined water.The hydrates were determined with XRD and SEM.It was found that the hydration of autoclaved silicate products with added phosphogypsum calcined over 500℃ was greatly improved.The hydrates of the autoclaved silicate products with added phosphogypsum calcined over 500℃ had more un-reacted Ca(OH)₂ content and combined water in the same curing time, and the research indicated that adding phosphogypsum calcined over 500℃ could also reinforce the compressive strength of autoclaved silicate products.It was pointed out that the aluminate phase present in the raw materials cannot hydrate to form more ettringite during autoclaved curing, and rapid formation of such hydrates as calcium silicate hydrate (1) and tobermorite with a more compact structure is the main reason for strengthening autoclaved silicate products.