The adsorbability and reaction features of related reactants, such as CO, CO2, CH3OH and H2, were investigated by using the in - situ FTIR analysis technique and TPD, TPSR methods. Based of the analysis of experimental information involved in methanol synthesis, an elementary step sequence for methanol synthesis over a commercial copper - based catalyst, MK - 101, was proposed, which was the basis of developing a dynamic kinetic model by using transient response technique.

On the basis of the identification of the elementary step sequence on the active surface of the catalyst, a series of transient response experiments with step changes in feed composition were carried out, by measuring the variation of the tail - gas composition of the micro - reactor with an on - line FTIR detector. A transient model of the reactor was developed. The values of the kinetic parameters for all elementary steps were estimated by fitting the solution of the model with experimental response data. The results showed that the prediction of the model is qualitatively consistent with experimental observation.

Kinetics model of Fischer - Tropsch synthesis ( FTS) was derived on the basis of carbide mechanism in which the readsorption of olefins was taken into account. Chain growth factor in the derived models was no long a constant. Hence the new model is suitable for interpreting non - ideal Anderson -Schulz - Flory (ASF) distribution on iron based catalyst.

Model discrimination and parameter estimation were performed for the kinetics models of Fischer - Tropsch synthesis ( FTS) and water gas shift reaction (WGS) obtained in the previous paper on the basis of kinetic data measured by using a fixed bed reactor. The results showed that the best models for fitting the experimental data are the model of FT1 which takes into account the effect of olefin readsorption on product distribution and the model of WG1 which is derived by assumption of CO2 desorption step as the rate determining step. The final models for FTS and WGS meet the requirement of statistic test (F - test) at 95% confident level. The value of kinetic parameters for the final models agreed well with the data reported in literature.

Computer NPT ensemble simulation of the chemical potentials and Henry constants for methane and benzene in infinite dilute aqueous solutions was carried out in terms of the thermodynamic integration with a coupling parameter, and the preferential sampling method. The TIP4P and OPLS potentials were used for the description of the molecular interactions of water and organic substances, respectively. The Ewald method was incorporated into the long range correction for the interaction between water molecules. The simulated results were in fair agreement with experimental data within the errors for MC computer simulation, which indicated that this method could be applied to the predication of the properties for organic substances in infinite dilute aqueous solutions.

A new batch transient method is developed for the determination of crystallization growth and nucleation kinetic parameters. By using a transformed population balance, the growth rate can be estimated. A transient equation between the growth rate and nucleation rate is set up to evaluate the nucleation rate. The application of the method is illustrated by determining the crystallization kinetics of the bisphenol A - phenol adduct.

Continuous counteracting chromatographic electrophoresis(CACE) concentrates target-protein continuously to accumulation zone between exclusive and inclusive zones with a separation column by using opposing electrical and flow fields. The mathematical models for three zones of a continuous CAGE column are proposed. An on - line monitor system is constructed to monitor in situ the concentration of target protein and its variation within the accumulating zone. Experiments are made with hemoglobin and cytochrome C by using two sets of continuous CACE apparatus.

The influence of feed injection velocity and angle on flow and reaction in a RFCC riser reactor was examined by using the three - dimensional differential numerical simulation method. The results showed that injecting velocity had a little influence on the form of flow field, but had influence on the distribution of catalyst and gas - phase concentration. The variation of injecting angle(with the axis of the riser) had a relatively greater influence on both flow field and reaction results. For the scope of the said research, the existence of an optimum injecting velocity and angle in riser could be established. The optimum injecting velocity was 60 m · s-1 of the angle 45°, and the optimum injecting angle should be no more than 45°.

A vapor - liquid - solid three - phase circulating fluidized bed, which is a new type of evaporation boiling means, has been studied. The experimental results show that it has the abilities of enhancing heat transfer, preventing from and cleaning fouling. Under the same conditions, its heat transfer coefficient is 1.5-2.0 times that for the two - phase flow boiling heat transfer. Meanwhile the effects of different particles (glass, ceramic, steel and titanium particles), particle concentration, liquid flow rate and heating vapors pressure on boiling heat transfer are studied. The investigative results in this aspect are not reported so far.

Cyclohexylamine acts as a pitting inhibitor for AISI 304 stainless steel in neutral NaCl solutions. The pitting resistance was investigated by means of different electrochemical measurement methods, such as stable anodic polarization curves, EIS, potentiostatic open - circuit relaxation curves and chronopotential method for pit growth etc. It was found that cyclohexylamine can prevent AISI 304 in NaCl solutions from both pitting initiation and pitting propagation. Since cyclohexylamine is adsorbed on the metal surface, it enhances the self - repaired ability of passive film so that it can hinder pitting nu-cleation and pit growth.

On the base of fractal theory, a fractal reaction model of shrinking core in irregular particle/ fluid system is developed. A pseudo - steady state equation of material balance and its solution in terms of the concentration profile of reacting fluid and the expressions of reaction time, complete reaction time, relative reaction time the amount of reacting fluid per unit time (and the conversion of the particle) are given in fractal dimension. The reaction time and other parameters at the control stages, such as fluid film diffusion, ash diffusion and chemical reaction, are also derived from the above expressions. The influences of fractal dimensions of particles on the reaction processes are discussed.

A segment - based molecular thermodynamic model is developed to calculate the Gibbs energy of nonionic surfactant solutions. The critical micellar concentrations of five single aqueous surfactant systems at different temperatures are correlated. The critical micellar concentrations of fourteen single aqueous surfactant systems at different temperatures are predicted by using the adjustable parameters. The predicted values are satisfactory. Compared with the Chen-NRTL model, this model has better accuracy and good prediction function.

A method for improving the heat and mass transfer of adsorbent is developed in this paper. A thennal conductive polyaniline was firstly used for enhancing the thennal conductivity of adsorbent pellets. A thermally conductive composite of polyaniline and adsorbent was prepared by chemical oxidative in - situ polymerization of aniline onto the surface of adsorbent particles. A thin thermal conducting layer on the surface of adsorbent particles was grown. The experimental results indicated that the thermal conductivity of this composite could be increased by approximately 4 times that of pure adsorbent. The adsorbent bed was shaped by a pressing process. This process can reduce the thennal resistance among the adsorbent particles and the contact thermal resistance between adsorbent bed and the heat exchanger. The thermal conductivity of the bed itself from the tests can be increased by 30% when the density of the solid adsorption bed is 1.5 times of its original density. Comparing the results with different methods of mixing or coating polymer, the method of polymerization is one of the best to improve the thennal conductivity of adsorbent in heat pump system.

A mathematical model was proposed for a non - steady state film diffusion in impregnating Nafion membrane with dilute platinous solution. Because of the different characteristics of Pt( NH3)42+ and Na+ ions, the diffusion flux is affected by concentration difference and diffusion electric field. The model was solved with a algorithm of predictor - corrector method. Impregnating experiments were carried out to verify the model. The diffusion coefficients of Pt(NH3)42+ and Na+ ions and film thicknesses were determined. Numerical results agreed satisfactorily with experimental data.

By applying Zhang Kewu s theoretical equation to liquid thermal conductivity, a new equation for calculation of thermal conductivity of liquid hydrocarbon is derived. The average error of calculation from 362 experimental data , 76 compounds is 1.78% .Its accuracy is about 4.7 times that of Latini et al. method (only for calculated λL of hydrocarbons) , recommended by Reid et al. It is far better than existing equations in terms of firm theoretical basis.λh can be simply and accurately obtained by only knowing the molecular structure of pure hydrocarbons. This equation is definite in physical nature and is theoretically important and practically valuable.

The effects of monomer ratio, initiator concentration, polymerization temperature and conversion on the composition and molecular weight of vinylidene chloride(VDC) - acrylonitrile(AN) copoly-mer, and rate of reaction were studied. A kinetic rate model of suspension copolymerization is suggested. The dependency of copolymer composition on AN concentration in the water phase was discussed. A model of molecular weight as a function of polymerization temperature and initiator concentration was proposed.

How to increase the ability of charge neutrality of flocculant is one of the exploring hot points in water treatment. Adding Sn4+ in coplymeriting of Fe3+ to increse the charge of the copolymer was studied in this paper. The chemical characteristics and crystal image of the copolymer were also studied by potentiometric titration in copolymeriting and scanning electron micrograph. Essential experimental basis for further researching copolymerization of Fe( Ⅲ ) and Sn( Ⅳ) was put forward.

The kinetics of nonisothermal and isothermal crystallization of polypropylene melt in polypropylene/low melting point metal( PP/LMPM) composites was investigated by DSC. LMPM is shown to be the nucleating agent of PP crystallization, and DBTL can increase the speed of PP crystallization. The higher the rotation speed in mixing process, the more the crystal nuclei. The crystallite dimension of PP decreases with the increase of volume fraction of LMPM, the increase of rotation speed in mixing process and the increase of volume fraction of DBTL. But homogeneous nuclei in PP/LMPM composites always exist and decrease to a limiting value with the increase of LMPM and DBTL.

The components in a gravity oil/water separator were divided into four types according to their function, which are energy exchanging (inlet) ,flow stabilizing, coalescence strengthening and vortex preventing (outlet) components.Some typical geometry for each component was put forward and investigated experimentally with the PIV technique. As a result, a new geometry for the separator was developed. In order to compare the new model s performance with other separators such as C - E Natco s performax separator and Henan oilfields HNS - Ⅱ separator, their hydraulic behaivor and separation performance were investigated by using resident time distribution and water in oil analysis techniques. All the work show that the new geometry proposed in the study is the best one both in hydraulic behavior and in separation performance.

A colored hydrogen - depleted graph was proposed to replace molecular graph so as to obtain good discrimination of the complex organic compounds by dyeing both the edges and the vertices. Furthermore, the topological index Xu based on the adjacency matrix A and distance matrix D was derived and further adapted to multiple bonds, heteroatom - containing compounds by using the related ratio of bond length to C-C bond in place of the adjacent topological distance and the valence δi in place of the degree of vertex υi in this paper. The index was highly correlated with the heat capacity of alkalies, olefins, aromatics, sulfur- containing and oxygen - containing compounds, etc. The calculated values were in good agreement with experimental data. The absolute average deviations of CpL for 79 compounds and CpG for 70 compounds were 1.57% and 2.24% , respectively. The proposed Xu index promised to be a useful parameter in QSPR/ QSAR research.