By introducing effective chain - insert probability into the excess entropy and adopting Wohl expression for the excess internal energy, a molecular thermodynamic model for a multicomponent system based on the Flory - Huggins lattice model has been established. For binary system, when r1equals to 1 and r2 varies from 1 to 10000, the results calculated with the new model is more consistent with computer - simulation data than those calculated with Freed theory. Under other conditions, both theories are consistent . Being a mean - field theory, Flory - Huggins theory can not give good results. For a ternary system, the coexisting regions calculated with the new model and Freed theory are very close to each other, but those calculated with Flory -Huggins theory are different. Besides, the new model can describe phase behavior with loop spinodals or binodals .

Based on a simple cubic lattice, a 3 - D network model with regular or random structures and periodic boundary was established. In this model, the pore structure is assumed to have a "chamber throat" geometry and pore sizes obey Weibull distributions. Using such a network model, the isotherms of nitrogen adsorption and desorption in porous media were simulated for various coordination numbers and different ranges of pore sizes. The effect of geometry and topology of the network model on sorption hysteresis was studied in particular. The simulation results showed that the main factors that affect the shape of sorption hysteresis are the radii of throats and the coordination number of network model.

The fast (Reaction injection molding, RIM) polymerization was carried out by reacting ethylene oxide capped poly (propyl oxide) polyether diol (PPO) with 4,4-diphenyl-methylene diisocynate (MDI) or liquefied MDI (L-MDI). Catalyst activity was compared for dibutyltin dilaurate (DBTDL), starmous octoate (SnOct), alkyl tin mercaptide (UL-29) and corresponding organotin/triethylene diamine (DABCO) systems in the polymerization process. Kinetic parameters were calculated with a non -linear optimization technique for a simple nth order model with an Arrhenius temperature dependence. The results suggest that activation energy is 130-170 kJ/mol and reaction heat is 61-72 kJ/eq. NCO. The catalyst activity is ordered as SnOct>DBTDL>UL - 29 and DBTDL/DABCO>UL - 29/DAB-CO>SnOct/DABCO. Overall reaction order is about 2 that is not related to catalyst activity.

On the basis of strutural group, the kinetic model with 11 lumps for heavy oil catalytic cracking is presented. Its reaction rate constants are determined by experiment and then by parameter estimation. The verification results in the lab show that the model is re -liable and fits well.

Based on the established kinetic model which includes eleven lumped species for heavy oil catalytic cracking, A computer software (HCCLK) for refinery has been developed. With this software, this kinetic model was verified in practical results of ZCM - 7 and RHZ -200 catalysts . The results show that the model is reliable,fits well ,and lays the good foundation for further commercial application.

The mechanism and coefficient of heat transfer between a flowing granular medium and a waved plate have been investigated. The experimental set - up was established. The results from the experimental work show that the regularity of heat transfer is in good agreement with the "Two - Zone" model developed in this paper.

A mathematical model has been developed to describe the behavior of solid state electrochemical reactors. The model equations are solved numerically using Newton -Raph-sons method. A simulation study based on the model has been carried out on the cogenera-tion of electrical power and useful chemicals -ethylene, ethane in the 1%Sr/La2O3 - Ag solid state electrochemical reactor. The effects of load, temperature and feed composition on the oxidative coupling of methane and output current are investigated. A comparison between the prediction of the model and the experiment results shows that the agreement can be considered as satisfactory.

A combined system of immobilized enzyme reactor and ion exchange column was employed for hydrolysis of Penicillin G to 6 -Aminopenicillanic acid with continuous removal of Phenylacetic acid . In the composite system, the time required for 95% Penicillin G conversion to 6 -Aminopenicillanic acid could be reduced by 10. 8% and 53% of Phenylacetic acid could be removed from the reaction mixture. Based on Phenylacetic acid and Penicillin G dynamics in ion exchange process and immobilized enzyme kinetics, the hydrolysis of Penicillin G was simulated well by computer from the mathematical model developed.

Based on the principles of hydrodynamics and experimental observation, a formula of cake thickness was presented. It was confirmed that the cake thickness varied not only with the product of turbine rotating velocity and the radius of filtration area, but also with the concentration of suspension. Under the condition of dynamic filtration, a formula was developed to calculate the filtration rate. The formula agreed well with the experimental results.

The drying statics for thin porous capillary colloid materials has been studied. The interaction of multilayer adsorption and capillary condensation was discussed on the basis of thermodynamics of irreversible process, and a new equation was developed to predict satisfactorily the equilibrium moisture content over wide temperature and relative humidity ranges. The equation approaches the BET equation in the region of lower relative humidities.

The flash hydropyrolysis (FHP) of Zalannoer brown coal of Inner Mongolia is carried out in an experimental entrained reactor. The total yield of products increase with the gas residence time (GRT) at 6. OMPa of hydrogen pressure and 700℃ of temperature and a range of 7-71 s GRT. When GRT is 42 s, the yield of hydrocarbon liquid (HCL) is a maximum of 13. 5% which is 1. 5 times more than that at a short GRT(2 s). The yield of gaseous products and total yield (gaseous products+HCL) are 31. 6% and 42. 1% respectively when GRT is 71 s. It is found that the increase of yields of gaseous products and HCL is closely related to the decrease of tar and volatile matter of char. During the process of FHP, secondary reaction of gaseous is unavoidable and it has an important effect on yields and distribution of gaseous and liquid products. The GRT plays an important role in controlling the secondary reaction.

The formation characteristics of NO and N2O are studied during combustion of three kinds of coal char in a fixed bed reactor under different oxygen concentration, and temperature conditions. It was found that the main mechanism of NO formation is the decomposition of (- CNO) sites,which come from oxygen adsorption to the char surfaces. N2O,however , can be produced by three pathways, the relative importance of the mechanisms were discussed in terms of the experimental results.

The apparent kinetics of H2S removal by T302 desulfurizer was studied by using thermo gravimetric method. Experiments showed that the reaction is of first order with respect to H2S concentration. In a temperature range of 200-400℃, the overall process was controlled by the surface reaction in the grain and came to the intrapellet diffusion controlled regime at the middle and last stage. The apparent kinetic behavior could be described by the equivalent grain model. The activation energies of surface reaction and solid diffusion were determined as 11. 842 and 20. 865kJ/mol, respectively. The reasons that there existed an optimum temperature and the activation energies of solid diffusion exceeded that of the chemical reaction were discussed.

The reduction process is very important for acicular magnetic powder preparation. In this paper, the mechanism of acicular ultrafine a-Fe2O3 particle reduction process was investigated by TPR, The study method for reduction kinetics was established and the operation condition was investigated. The kinetic equation for α-Fe2O3 reduction was proposed. This equation can be used at 300℃-450℃ for the reduction of pure α-Fe2O3 particles. The optimized temperature for acicular α- Fe2O3 powder reduction was at 360℃-400℃.

This paper reviews the literatures on the kinetics of hydrate formation and decomposition from the point of view of microscopic and macroscopic kinetics. The emphasis is on the microscopic mechanism for hydrate formation and the macroscopic kinetics of hydrate crystal growth. For the microscopic kinetics of hydrate formation, three mechanisms and the relevant models are reviewed. For the macroscopic kinetics, the research at Bishnois laboratory in Canada and the work associated with CO2 hydrate disposal in Japan on the kinetics of CO2 hydrate formation are briefly described. For the hydrate decomposition, the kinetics under thermal stimulation, depressurization, and in the presence of inhibitors are discussed. Based on the current status of the hydrate kinetics research, the authors suggest eight important aspects for future hydrate kinetics research.

Concentrating eicosapentaenoic acid ( EPA) from fish oil with supercritical CO2 has been carried out using a laboratory rectification column of 9. 7mm internal diameter and 1. 1m effective height. To improve the supercritical fluid -liquid contact, a scourer rotor was used in the extraction cell, and the column was packed with Dixon ring. Also, to level up the separation ability, the extraction pressure was step -by -step programmed, and the column temperature gradient from bottom to top was kept at 35 to 80℃. Under such conditions, the maximum concentration of EPA was 90%, although plenty of components 20 : 4 was contained in the experimental feedstock. The work presented shows the possibility of purification of EPA from fish oil with supercritical CO2.

The reversion and chemical stress relaxation behaviour of natural rubber (NR) cured with equilibrium cure system (EC) were studied. The results manifested that the reversion and tensile strength decrease percentage of NR cured with EC after 6 hour were remarkably lower than that of NR cured with conventional vulcanization system (CV). The order of the amount of crosslinking bonds was EC>CV>SEV(semi -effective vulcanization system) during the process of chemical stress relaxation. The thermooxidative aging activation energy values of NR cured with EC, SEV and CV were 159. 5,141. 7 and 114. 6kJ/mol, and their tensile strength values were 26. 9,21. 6 and 24. 7MPa respectively. It could be inferred that one of the main reasons of lower reversion beyond 100 minute curing period was that the vul-canizate cured with EC had a good property of thermooxidative aging resistance.

Applying reaction chromatography technique, we set up a novel mathematical model of multi -variate (pseud) linear kinetic parameters in sophisticated net reactions. After two times of Laplace transformation,both the analytical solution and numerical solution were obtained. The solutions were verified by the hydrocarbylation of benzene net reaction.