The conventional low-temperature method of solution polycondensation was developed to realize the reaction of p-phenylenediamin and terephthaloyl chloride for the preparation of poly（p-phenylene terephthalamide）（P...The conventional low-temperature method of solution polycondensation was developed to realize the reaction of p-phenylenediamin and terephthaloyl chloride for the preparation of poly（p-phenylene terephthalamide）（PPTA）. Some main factors influencing this process were investigated to determine the optimum condition for high molecular weight. Experiment showed significant slowing of the reaction and gradual deviation of second-order reaction kinetics due to diffusion control. These phenomena were studied theoretically via dynamic Monte Carlo simulation. A concise expression,n～c0^-0.88·t^0.37, was proposed to describe the diffusioncontrolled polycondensation process as a function of the monomer concentration and reaction time. The theoretical results provided a good description of diffusion-effected kinetics for the polycondensation process of PPTA, and demonstrated good agreement with the experimental data. Some differences of scaling relations between model and experiment results were also discussed.展开更多
A coupled system simulating both firebox and reactor is established to study the naphtha pyrolysis in an industrial tubular furnace.The firebox model is based on zone method including combustion,radiation,and convecti...A coupled system simulating both firebox and reactor is established to study the naphtha pyrolysis in an industrial tubular furnace.The firebox model is based on zone method including combustion,radiation,and convection to simulate heat transfer in the furnace.A two-dimensional recirculation model is proposed to estimate the flow field in furnace.The reactor model integrates the feedstock reconstruction model,an auto-generator of detail kinetic schemes,and the reactor simulation model to simulate the reaction process in the tubular coil.The coupled simulation result is compared with industrial process and shows agreement within short computation time.展开更多
基金financially supported by the National Natural Science Foundation of China (Nos.21204011,51603120 and 21404023)the National Basic Research Program of the China 973 Program (No.2011CB606101)+1 种基金Fundamental Research Funds for the Central Universities,Innovation Program of Shanghai Science and Technology Commission (No.14521100605)the Innovation Program of Shanghai Municipal Education Commission
文摘The conventional low-temperature method of solution polycondensation was developed to realize the reaction of p-phenylenediamin and terephthaloyl chloride for the preparation of poly（p-phenylene terephthalamide）（PPTA）. Some main factors influencing this process were investigated to determine the optimum condition for high molecular weight. Experiment showed significant slowing of the reaction and gradual deviation of second-order reaction kinetics due to diffusion control. These phenomena were studied theoretically via dynamic Monte Carlo simulation. A concise expression,n～c0^-0.88·t^0.37, was proposed to describe the diffusioncontrolled polycondensation process as a function of the monomer concentration and reaction time. The theoretical results provided a good description of diffusion-effected kinetics for the polycondensation process of PPTA, and demonstrated good agreement with the experimental data. Some differences of scaling relations between model and experiment results were also discussed.
基金Supported by the National Natural Science Foundation of China(U1462206)
文摘A coupled system simulating both firebox and reactor is established to study the naphtha pyrolysis in an industrial tubular furnace.The firebox model is based on zone method including combustion,radiation,and convection to simulate heat transfer in the furnace.A two-dimensional recirculation model is proposed to estimate the flow field in furnace.The reactor model integrates the feedstock reconstruction model,an auto-generator of detail kinetic schemes,and the reactor simulation model to simulate the reaction process in the tubular coil.The coupled simulation result is compared with industrial process and shows agreement within short computation time.
