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        Theoretical Studies on the Alkylidene Silylenoid H2C = SiLiF and Its Insertion Reaction with R-H (R = F, OH, NH2)

        Xiaojun Tan,Weihua Wang,Ping Li,Qingyan Li,Lei Cheng,Shufen Wang,Weiwang Cai,Jinping Xing 대한화학회 2010 Bulletin of the Korean Chemical Society Vol.31 No.5

        The geometries and isomerization of the alkylidene silylenoid H2C = SiLiF as well as its insertion reactions with R-H (R = F, OH, NH2) have been systematically investigated at the B3LYP/6-311+G* level of theory. The potential barriers of the three insertion reactions are 97.5, 103.3, and 126.1 kJ/mol, respectively. Here, all the mechanisms of the three reactions are identical to each other, i.e., an intermediate has been formed first during the insertion reaction. Then, the intermediate could dissociate into the substituted silylene (H2C = SiHR) and LiF with a barrier corresponding to their respective dissociation energies. Correspondingly, the reaction energies for the three reactions are ‒36.4, ‒24.3, and 3.7kJ/mol, respectively. Compared with the insertion reaction of H2C = Si: and R-H (R = F, OH and NH2), the introduction of LiF makes the insertion reaction occur more easily. Furthermore, the effects of halogen (F, Cl, Br) substitution and inorganic salts employed on the reaction activity have also been discussed. As a result, the relative reactivity among the three insertion reactions should be as follows: H-F > H-OH > H-NH2.

      • SCOPUSKCI등재

        Theoretical Studies on the Alkylidene Silylenoid H<sub>2</sub>C = SiLiF and Its Insertion Reaction with R-H (R = F, OH, NH<sub>2</sub>)

        Tan, Xiaojun,Wang, Weihua,Li, Ping,Li, Qingyan,Cheng, Lei,Wang, Shufen,Cai, Weiwang,Xing, Jinping Korean Chemical Society 2010 Bulletin of the Korean Chemical Society Vol.31 No.5

        The geometries and isomerization of the alkylidene silylenoid $H_2C$ = SiLiF as well as its insertion reactions with R-H (R = F, OH, $NH_2$) have been systematically investigated at the B3LYP/6-311+$G^*$ level of theory. The potential barriers of the three insertion reactions are 97.5, 103.3, and 126.1 kJ/mol, respectively. Here, all the mechanisms of the three reactions are identical to each other, i.e., an intermediate has been formed first during the insertion reaction. Then, the intermediate could dissociate into the substituted silylene ($H_2C$ = SiHR) and LiF with a barrier corresponding to their respective dissociation energies. Correspondingly, the reaction energies for the three reactions are -36.4, -24.3, and 3.7 kJ/mol, respectively. Compared with the insertion reaction of $H_2C$ = Si: and R-H (R = F, OH and $NH_2$), the introduction of LiF makes the insertion reaction occur more easily. Furthermore, the effects of halogen (F, Cl, Br) substitution and inorganic salts employed on the reaction activity have also been discussed. As a result, the relative reactivity among the three insertion reactions should be as follows: H-F > H-OH > H-$NH_2$.

      • KCI등재

        Drag reduction characterizations of turbulent channel flow with surfactant additive by proper orthogonal decomposition and wavelet transform

        Lu Wang,Zhiying Zheng,Weihua Cai,Fengchen Li 한국유변학회 2020 Korea-Australia rheology journal Vol.32 No.1

        To explore the drag-reducing characteristics of turbulent channel flows with surfactant additive at relatively high Reynolds number from the perspectives of energy spectrum and multi-scale resolution, the two-dimensional fluctuation velocity fields of turbulent channel flows with/without surfactant additive at Reynolds number of Re = 590 obtained by large eddy simulation are decomposed by two-dimensional proper orthogonal decomposition (POD) and wavelet transform (WT). POD results show that the low-order eigenmode occupying most energy can be used to capture large-scale vortex structures, and fewer eigenmodes can be employed to capture coherent structures (CSs) in surfactant solution case compared with that in the Newtonian fluid. The spatial structures depicted by POD eigenmode state that buffer layer has a tendency to move towards the center of the channel in surfactant solution. Through wavelet analysis of fluctuation velocity fields in the streamwise-wall-normal planes, it is found that CSs mainly distribute in the near-wall region and the amount of CSs is smaller in surfactant solution. The results of local Reynolds shear measure (LRM) show that local contribution of CSs to the intermittency in turbulent channel flow of surfactant solution decreases, indicating the inhibition of intermittency by surfactant additive. In order to investigate the drag-reducing characteristics at different locations along the wall-normal direction, the fluctuation velocity fields in the streamwise-spanwise planes at different wall-normal locations are decomposed by two-dimensional WT. The results show that surfactant additive mainly affects the flow in the near-wall region (especially in the buffer layer) and thus induces drag reduction effect.

      • SCOPUSKCI등재

        Detection and Recognition of Illegally Parked Vehicles Based on an Adaptive Gaussian Mixture Model and a Seed Fill Algorithm

        Sarker, Md. Mostafa Kamal,Weihua, Cai,Song, Moon Kyou The Korea Institute of Information and Commucation 2015 Journal of information and communication convergen Vol.13 No.3

        In this paper, we present an algorithm for the detection of illegally parked vehicles based on a combination of some image processing algorithms. A digital camera is fixed in the illegal parking region to capture the video frames. An adaptive Gaussian mixture model (GMM) is used for background subtraction in a complex environment to identify the regions of moving objects in our test video. Stationary objects are detected by using the pixel-level features in time sequences. A stationary vehicle is detected by using the local features of the object, and thus, information about illegally parked vehicles is successfully obtained. An automatic alarm system can be utilized according to the different regulations of different illegal parking regions. The results of this study obtained using a test video sequence of a real-time traffic scene show that the proposed method is effective.

      • SCIESCOPUSKCI등재

        Air horizontal jets into quiescent water

        Weichao Li,Zhaoming Meng,Jianchuang Sun,Weihua Cai,Yandong Hou Korean Nuclear Society 2023 Nuclear Engineering and Technology Vol.55 No.6

        Gas submerged jet is an outstanding thermohydraulic phenomenon in pool scrubbing of fission products during a severe nuclear accident. Experiments were performed on the hydraulic characteristics in the ranges of air mass flux 0.1-1400 kg/m<sup>2</sup>s and nozzle diameter 10-80 mm. The results showed that the dependence of inlet pressure on the mass flux follows a power law in subsonic jets and a linear law in sonic jets. The effect of nozzle submerged depth was negligible. The isolated bubbling regime, continuous bubbling regime, transition regime, and jetting regime were observed in turn, as the mass flux increased. In the bubbling regime and jetting regime, the air volume fraction distribution was approximately symmetric in space. Themelis model could capture the jet trajectory well. In the transition regime, the air volume fraction distribution loses symmetry due to the bifurcated secondary plume. The Li correlation and Themelis model showed sufficient accuracy for the prediction of jet penetration length.

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