Reservoir Pore Structure Classification Technology of Carbonate Rock Based on NMR T 2 Spectrum Decomposition

The carbonate reservoir has a number of properties such as multi-type pore space, strong heterogeneity, and complex pore structure, which make the classification of reservoir pore structure extremely difficult. According to nuclear magnetic resonance (NMR) T ₂ spectrum characteristics of carbonate rock, an automatic pore structure classification and discrimination method based on the T ₂ spectrum decomposition is proposed. The objective function is constructed based on the multi-variate Gaussian distribution properties of the NMR T ₂ spectrum. The particle swarm optimization algorithm was used to solve the objective function and get the initial values and then the generalized reduced gradient algorithm was proposed for solving the objective function, which ensured the stability and convergence of the solution. Based on the featured parameters of the Gaussian function such as normalized weights, spectrum peaks and standard deviations, the combinatory spectrum parameters (by multiplying peak value and normalized weight for every peak) are constructed. According to the principle of fuzzy clustering, the carbonate rock pore structure is classified automatically and the discrimination function of each pore structure type is obtained using Fisher discrimination analysis. The classification results were analyzed with the corresponding casting thin section and scanning electron microscopy. The study shows that the type of the pore structure based on the NMR T ₂ spectrum decomposition is strongly consistent with other methods, which provides a good basis for the quantitative characterization of the carbonate rock reservoir pore space and lays a foundation of the carbonate rock reservoir classification based on NMR logging.     

Solid Supramolecular Architecture of a Perylene Diimide Derivative for Fluorescent Enhancement

A new p‐phenylenevinylene‐linked perylene diimide has been synthesized and self‐assembled for the formation of zero‐dimensional molecular aggregate structures of nanospheres and vesicles through solvent tuning. The solid‐state optical properties induced by a special wavelength laser were studied and the results indicated excellent fluorescent enhancement properties. The emission intensity of these aggregates increased with elongation of the laser irradiation time. Based on the analysis of variable‐temperature ¹H NMR spectra, DFT calculations, and the single‐crystal structure of the linkage group, a conformation‐dependent fluorescent enhancement mechanism could be demonstrated. The mechanism is different from the fluorescent bleaching of normal solid‐state fluorescent materials and offers potential applications in optical devices.     

A QM/MM study on the catalytic mechanism of pyruvate decarboxylase

Pyruvate decarboxylase (PDC) is a typical thiamin diphosphate (ThDP)-dependent enzyme with widespread applications in industry. Though studies regarding the reaction mechanism of PDC have been reported, they are mainly focused on the formation of ThDP ylide and some elementary steps in the catalytic cycle, studies about the whole catalytic cycle of PDC are still not completed. In these previous studies, a major controversy is whether the key active residues (Glu473, Glu50′, Asp27′, His113′, His114′) are protonated or ionized during the reaction. To explore the catalytic mechanism and the role of key residues in the active site, three whole-enzyme models were considered, and the combined QM/MM calculations on the nonoxidative decarboxylation of pyruvate to acetaldehyde catalyzed by PDC were performed. According to our computational results, the fundamental reaction pathways, the complete energy profiles of the whole catalytic cycle, and the specific role of key residues in the common steps were obtained. It is also found that the same residue with different protonation states will lead to different reaction pathways and energy profiles. The mechanism derived from the model in which the residues (Glu473, Glu50′, Asp27′, His113′, His114′) are in their protonated states is most consistent with experimental observations. Therefore, extreme care must be taken when assigning the protonation states in the mechanism study. Because the experimental determination of protonation state is currently difficult, the combined QM/MM method provides an indirect means for determining the active-site protonation state.     

Construction of graphdiyne nanowires with high-conductivity and mobility

GDNWs (graphdiyne nanowires) have successfully been constructed which exhibit a very high quality defect-free surface using the VLS growth process. Measurement of electrical properties showed that the GDNWs produced are excellent semiconductors with a conductivity of 1.9 × 10(3) S m(-1) and a mobility of 7.1 × 10(2) cm(2) V(-1) s(-1) at room temperature. The results have confirmed that GDNW is indeed a promising and key novel material in electronic and photoelectric fields for both fundamental and potentially practical applications.     

反向开关晶体管结构优化与特性测试

对半导体脉冲功率开关反向开关晶体管 (RSD)的结构进行了优化,在RSD中引入缓冲层,建立器件数值模型并作仿真分析,结果表明:缓冲层结构起到了截止电场的作用,使得器件基区得以减薄,较传统结构RSD阻断电压升高而开通电压降低。针对RSD的特殊工作方式,提出了RSD开通电压、关断时间等关键参数的测试方案并进行了实验测量。进行了RSD大电流开通试验,直径7.6 cm的堆体在12 kV主电压下成功通过峰值电流173 kA,传输电荷32 C。     

空心微球结构Au/Ag合金泡沫块体的制备

将平均晶粒尺寸为4.6 nm的金粒子通过静电作用粘附于聚苯乙烯（PS）微球表面用于化学镀,化学镀金后PS表面的金沉积层几乎达到完全包覆,厚度70~90 nm;在Au/PS表面进行化学镀银,沉积的银颗粒堆积紧密,颗粒大小较先前沉积的金颗粒大,镀覆层厚度增厚至200~400 nm;模板去除后,获得了完全自支撑的Au40Ag60空心微球结构的圆柱状泡沫材料。制备的金银合金泡沫由直径约10 m的空心球壳组成,圆柱体直径约5 mm,密度约1.2 g/cm3。     

Developing a wireless sensing method for the measurement of gamma radiation dose based on the polymerization of acrylamide

A wireless sensing method for the measurement of gamma radiation dose has been developed based on the fact that gamma rays can initiate the polymerization of acrylamide, which causes an increase in solution viscosity that can be detected with a wireless magnetoelastic sensor. The magnetoelastic sensor is able to wirelessly detect the resonance frequency shifts of a magnetoelastic foil in response to changes in solution viscosity. There is a linear relationship between the resonance frequency shift and gamma radiation dose in the range of 0–50 Gy (under optimal conditions) with a detection limit of 0.25 Gy. This method has the advantage of providing real-time, continuous measurement in situ. The method has been used successfully to determine the gamma radiation dose in real exposure scenarios, with satisfactory results.     

Synthesis and Self‐Assembly of Dihydroxyperylene Bisimides for the Tuning of Photophysical Properties

The synthesis of 1,10‐dihydroxyperylene bisimides by nucleophilic substitution of brominated perylene bisimide is described. 1,10‐Dihydroxyperylene bisimides formed J aggregates in nonpolar solvents and showed a clearly redshifted absorption band. The solvent polarity also influenced the hydrogen bond with the hydroxyl group, and thus, the photophysical properties of perylene bisimide. The photophysical properties of these dihydroxyperylene perylene bisimides can also be tuned by changing charge transfer from the hydroxyl groups to the perylene core through the introduction of metal ions.     

Controlling growth of molecular crystal aggregates for efficient optical waveguides

Controllable crystal aggregate structures which show highly uniform crystal tubule, rod and cubic like architectures were achieved and the well-defined microrods exhibit outstanding optical waveguide properties.