Structure analyses for hydrate models of ethyleneimine oligomer (5-mer as model of PEI) were investigated by quantum chemical calculations. Conformation energies and structures optimized for hydrate models of (ttt)5 a...Structure analyses for hydrate models of ethyleneimine oligomer (5-mer as model of PEI) were investigated by quantum chemical calculations. Conformation energies and structures optimized for hydrate models of (ttt)5 and (tgt)5 conformers were examined. Hydrate ratio, h [h = H2O/N (mol)], was set from 0.5 to 2. In anhydrates, (tg+t)5 conformer was more stable (?1.8 kcal/m.u.) than (ttt)5. In hydrates, (ttt)5 conformers were more stable (?0.7 - ?4.3) than (tg+t)5. These results corresponded to experimental results that anhydrous linear PEI crystal changes from double helical to single planar chain in hydration process. Structures calculated for (ttt)5 agreed in those observed for hydrates of PEI. In all (tg+t)5 conformers, O???H bonds between waters were found with the decreases of N???H bonds between imino group and water. The O???H bonds in (tg+t)5 conformer resulted in its high chain torsion, and strongly related with instability and structure change (large swelling).展开更多
The structural characteristics of different alkoxides of Y. Ba and Cu are studied with quantum chemi-cal CNDO /2 calculations. The relative hydrolysis rate coefficients k_M of them are obtained according tothe relati...The structural characteristics of different alkoxides of Y. Ba and Cu are studied with quantum chemi-cal CNDO /2 calculations. The relative hydrolysis rate coefficients k_M of them are obtained according tothe relationship between frontier orbitals and organic chemical reactions. Based on the above results. properexperimental conditions for the preparation of homogeneous ultra-purity. submicro high-T_cYBa_2Cu_3O_(7-δ) superconducting powders are proposed.展开更多
An investigation into the aircraft flight simulation and control system is presented in this paper. The study was firstly focused on the establishment of an integrated hardware-in-the-loop（HITL） platform for aircraf...An investigation into the aircraft flight simulation and control system is presented in this paper. The study was firstly focused on the establishment of an integrated hardware-in-the-loop（HITL） platform for aircraft flight simulation based on MATLAB/Simulink ＋ dSPACE. The platform combines the abundant software and hardware resources of dSPACE simulation platform to simulate the flight attitude of an aircraft in six-DOF （ degree of freedom） motion. Based on the platform, the study was then focused on the flight numerical simulation by taking a loitering aerial vehicle as an example. An aircraft mathematical model was created for a modular design and off-line numerical simulation based on MATLAB/Simulink. Finally, the study was focused on the control system design of the loitering aerial vehicle and conduct of an HITL simulation experiment for the vehicle pitch control. The experiment verifies the system design and control effectiveness. Research results show that the dSPACE simulation system provides a real time good experimental platform to improve the efficiency of study and development of a flight control system.展开更多
文摘Structure analyses for hydrate models of ethyleneimine oligomer (5-mer as model of PEI) were investigated by quantum chemical calculations. Conformation energies and structures optimized for hydrate models of (ttt)5 and (tgt)5 conformers were examined. Hydrate ratio, h [h = H2O/N (mol)], was set from 0.5 to 2. In anhydrates, (tg+t)5 conformer was more stable (?1.8 kcal/m.u.) than (ttt)5. In hydrates, (ttt)5 conformers were more stable (?0.7 - ?4.3) than (tg+t)5. These results corresponded to experimental results that anhydrous linear PEI crystal changes from double helical to single planar chain in hydration process. Structures calculated for (ttt)5 agreed in those observed for hydrates of PEI. In all (tg+t)5 conformers, O???H bonds between waters were found with the decreases of N???H bonds between imino group and water. The O???H bonds in (tg+t)5 conformer resulted in its high chain torsion, and strongly related with instability and structure change (large swelling).
文摘The structural characteristics of different alkoxides of Y. Ba and Cu are studied with quantum chemi-cal CNDO /2 calculations. The relative hydrolysis rate coefficients k_M of them are obtained according tothe relationship between frontier orbitals and organic chemical reactions. Based on the above results. properexperimental conditions for the preparation of homogeneous ultra-purity. submicro high-T_cYBa_2Cu_3O_(7-δ) superconducting powders are proposed.
基金Sponsored by the Ministerial Level Advanced Research Foundation(A26020060253)
文摘An investigation into the aircraft flight simulation and control system is presented in this paper. The study was firstly focused on the establishment of an integrated hardware-in-the-loop（HITL） platform for aircraft flight simulation based on MATLAB/Simulink ＋ dSPACE. The platform combines the abundant software and hardware resources of dSPACE simulation platform to simulate the flight attitude of an aircraft in six-DOF （ degree of freedom） motion. Based on the platform, the study was then focused on the flight numerical simulation by taking a loitering aerial vehicle as an example. An aircraft mathematical model was created for a modular design and off-line numerical simulation based on MATLAB/Simulink. Finally, the study was focused on the control system design of the loitering aerial vehicle and conduct of an HITL simulation experiment for the vehicle pitch control. The experiment verifies the system design and control effectiveness. Research results show that the dSPACE simulation system provides a real time good experimental platform to improve the efficiency of study and development of a flight control system.
