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Chiral Nonlinear Luminescence Study of Pentaoxonium Salt Molecules Driven by Internal Electric Field Induced by Orbital Polarization
Yue LI, Xinwen GAI, Bo ZHAO, Jingang WANG
Abstract25)   HTML1)    PDF (5728KB)(12)      

Based on density-functional theory (DFT) and wave function analysis procedures, the optical and molecular absorption properties of two structurally different pentacyclooxonium salt molecules have been investigated, and the physical mechanism of the formation of a built-in electric field due to orbital polarization caused by structural distortions, which induces charge transfer and leads to a nonlinear optical spectrum, has been explored.The properties result from the orbital polarization-induced built-in electric field driving charge transfer due to structural distortion. Theoretical analysis of ultraviolet-visible absorption spectroscopy (UV-vis) spectra is first performed to investigate the optical properties. The electronic excitation characteristics of the built-in electric field-driven charge transfer in molecules are analyzed in detail by transition density matrix (TDM) and charge differential density (CDD). Combining transition electric dipole moment density (TEDM) and transition magnetic dipole moment density (TMDM) analysis, the physical mechanism of the structure-induced chirality in their electronic circular dichroism (ECD) spectra is revealed. The results can provide theoretical references for the preparation of novel chiral materials as well as the research and development of optoelectronic materials and their practical applications.

2025, 38 (1): 65-73. DOI: 10.12422/j.issn.1006-396X.2025.01.009
Improvement and Application of the Key Technology of Separate Injection in Bohai Oilfield
Shukun Yang, Yue Li, Xiang Li, Hongfeng Guo, Gongming Ji, Jingyan Shi
Abstract327)   HTML    PDF (2518KB)(187)      

Some strategies for improvement of the key technology of testing?adjusting integrated separate injection technology have been investigated, due to much lower efficiency of conventional testing?adjusting integrated separate injection technology, which cannot accomplish layered static pressure testing. Through optimizing the string structure to improve the pressure balance during water injection, the creep of the string caused by the large displacement water injection is reduced. Design of the bridge channel of the water distributor greatly increases the flow area,reduces the interlayer interference, and further improves the testing?adjusting efficiency. Meanwhile, the pressure hole is added in the water distributor body to establish stratum?tubing pressure transfer channel, and the static pressure testing instrument is equipped for further testing of the layered static pressure. The improved technology works well in application, the deployment efficiency has been significantly improved, which takes only 5 hours to complete the deployment of 6 layers. The overpressure layer can be successfully picked out during the layered static pressure test, which provides a basis for the layered injection allocation adjustment. The adaptability of the improved technology in Bohai oilfield is significantly enhanced.

2021, 34 (4): 91-96. DOI: 10.3969/j.issn.1006-396X.2021.04.015
Research of Composition and Coking Behavior of Ethylene Cracking Tar
Zhang Yuntong, Yue Lin, Wang Siyu,et al
Abstract980)      PDF (1392KB)(953)      
The property and composition of ethylene cracking tar were investigated by four component analyses and the method of ndM. The results were shown that amount of the aromatic hydrocarbon, colloid and asphaltene was higher in the ethylene cracking tar. On the other hand, the delayed coke simulation test was carried on the selfmade apparatus based on the ethylene cracking tar as materials or doping different ratio of the ethylene cracking tar into the coking materials as material under the conditions was that the 500 ℃ and normal atmosphere. The results showed that the fraction of gasoline and wax oil was decreased, but the fraction of diesel oil and coke was increased under the doping ratio of ethylene cracking tar in coke material was increased. Compared with the industrial production device, under the doping ratio of ethylene cracking tar was 20%, the density of gasoline was nearly not changed, the fraction of sulfur and actual colloid were increased slightly, the initial boiling point and dry point of the middle distillate (200~350 ℃) was nearly not changed, however the density of the middle distillate (200~350 ℃) was increased, but the actual colloid was decreased. As for the coke, the fraction of volatile and ash was increased, but the fraction of water and sulfur was decreased apparent. The result mentioned above showed that the doping ratio of ethylene cracking tar was 20% will not affect apparently the production of the delayed coking. 
2015, 28 (4): 22-26. DOI: 10.3969/j.issn.1006-396X.2015.04.005