Based on the principles of Genetic Algorithms (GAs), a hybrid genetic algorithm used to optimize simple distillation column sequences was established. A new data structure, a novel arithmetic crossover operator and a ...Based on the principles of Genetic Algorithms (GAs), a hybrid genetic algorithm used to optimize simple distillation column sequences was established. A new data structure, a novel arithmetic crossover operator and a dynamic mutation operator were proposed. Together with the feasibility test of distillation columns, they are capable to obtain the optimum simple column sequence at one time without the limitation of the number of mixture components, ideal or non-ideal mixtures and sloppy or sharp splits. Compared with conventional algorithms, this hybrid genetic algorithm avoids solving complicated nonlinear equations and demands less derivative information and computation time. Result comparison between this genetic algorithm and Underwood method and Doherty method shows that this hybrid genetic algorithm is reliable.展开更多
Janus polymerization is featured as a combination of cationic and anionic growing ends in one living polymer chain. In the copolymerization of THF and CL catalyzed by lutetium triflates and initiated by propylene oxid...Janus polymerization is featured as a combination of cationic and anionic growing ends in one living polymer chain. In the copolymerization of THF and CL catalyzed by lutetium triflates and initiated by propylene oxide, three stages are identified by kinetic study including(1) fast cationic polymerization with slow anionic one,(2) fast anionic polymerization with dormant cationic one, and(3)reactivation of cationic polymerization with coupling of anionic and cationic chain ends. In this work, density functional theory(DFT)calculation is employed to investigate the reaction details of ionic polymerization and dormancy. A “tripedal crow” configuration is proposed to illustrate the unique high-coordinated ligand exchange configuration in anionic polymerization in different stages. The trigger of dormancy is determined as chain structures rather than concentration of triflate anion according to both calculation and experimental results.展开更多
文摘Based on the principles of Genetic Algorithms (GAs), a hybrid genetic algorithm used to optimize simple distillation column sequences was established. A new data structure, a novel arithmetic crossover operator and a dynamic mutation operator were proposed. Together with the feasibility test of distillation columns, they are capable to obtain the optimum simple column sequence at one time without the limitation of the number of mixture components, ideal or non-ideal mixtures and sloppy or sharp splits. Compared with conventional algorithms, this hybrid genetic algorithm avoids solving complicated nonlinear equations and demands less derivative information and computation time. Result comparison between this genetic algorithm and Underwood method and Doherty method shows that this hybrid genetic algorithm is reliable.
基金financially supported by the National Natural Science Foundation of China (No. 21871232)the Zhejiang Provincial Natural Science Foundation of China (No. LR15B040001)
文摘Janus polymerization is featured as a combination of cationic and anionic growing ends in one living polymer chain. In the copolymerization of THF and CL catalyzed by lutetium triflates and initiated by propylene oxide, three stages are identified by kinetic study including(1) fast cationic polymerization with slow anionic one,(2) fast anionic polymerization with dormant cationic one, and(3)reactivation of cationic polymerization with coupling of anionic and cationic chain ends. In this work, density functional theory(DFT)calculation is employed to investigate the reaction details of ionic polymerization and dormancy. A “tripedal crow” configuration is proposed to illustrate the unique high-coordinated ligand exchange configuration in anionic polymerization in different stages. The trigger of dormancy is determined as chain structures rather than concentration of triflate anion according to both calculation and experimental results.
