Co3O4 Decorated Ti/TiO2 Nanotubes for Photogenerated Cathodic Protection of 304 Stainless Steel

The Co₃O₄ decorated TiO₂ nanotube arrays(NTAs) coatings are fabricated by the combination of anodization and impregna-ting methods. It is found that the introduction of Co₃O₄ can reduce the diffraction intensity of (101) plane of the TiO₂ and accelerate the separation of photogenerated electron/hole pairs. In addition, the open circuit potential(OCP) and the corrosion potential of 304 stainless steel(304SS) with or without Co₃O₄ decorated TiO₂ NTAs were measured under visible light, which indicated the 304SS coupled with Co₃O₄ decorated TiO₂ NTAs had better anticorrosion performance than that of the 304SS or the 304SS coupled with pure TiO₂ NTAs. The enhancement of the cathodic protection performance of the Co₃O₄ decorated TiO₂ NTAs can be ascribed to the matched energy levels and strong interaction between Co₃O₄ and TiO₂ NTAs, and the improvement of light absorption.     

Zn(Ⅱ)/γ-MnOOH体系化学吸附的密度泛函理论研究

采用密度泛函B3LYP方法对Zn(Ⅱ)在水锰矿(MnOOH)2(H2O)6簇模型表面的水合、一级和二级水解三类共11种吸附构型进行了理论研究. 计算结果表明, 水合吸附构型的稳定性顺序为DC(双角)>SE-B(单边-B)>SE-A(单边-A)>DE(双边), 水解吸附构型的稳定性顺序为DC>SE-A>SE-B>DE, 均符合鲍林第三规则; 热化学分析结果说明, 其吸附和水解是相互制约的两个过程, 这一结论通过前线轨道理论分析得到了证明; 自然布居分析结果表明, 吸附过程中电子由簇模型向吸附质迁移; 结合电子供体-受体相互作用和前线轨道组成分析了吸附产物的稳定性.     

PEG型酸性温控离子液体中芳香酸和醇的酯化反应

报道了该催化体系在芳香酸和醇酯化反应中的应用. 研究发现, 该离子液体具有优良的催化性能, 产品易分离, 催化剂可循环使用且活性不降低, 催化剂不易流失, 实现了均相催化剂的高效回收和再利用.     

Fmoc保护氨基酸与Wang树脂的缩合反应

研究了保护氨基酸、Wang 树脂取代度、树脂粒度、搅拌方式对Fmoc-氨基酸-Wang树脂连接效率的影响. 结果表明, 保护氨基酸分子量的大小会因产生不同的位阻而影响缩合反应的效率, 分子量越小缩合效率越高; Wang树脂的取代度较高时, 已缩合的氨基酸给后续保护氨基酸的缩合形成阻碍, 使缩合效率降低; 粒径较小和搅拌较好时, 对保护氨基酸的粒内外扩散有利, 可提高反应速度和缩合效率.     

Synthesis, Crystal Structure, Physical Properties, and Application of a Series of Functional Dibenzo[d,f][1,3]dioxepine Derivatives

The twisted aromatics, functional dibenzo[d,f][1,3]dioxepine derivatives were synthesized in high yields from reactions of 5,5＇-dibromo-2,2＇-biphenol with corresponding ketal or ketone compounds under acid catalysis. The structures of these compounds were characterized by ^1H NMR, elemental analysis, UV-Vis absorption spectrum and X-ray diffraction analysis. The conformation of O--C--O bridged biphenyl derivatives with varied substitute groups on 6,6＇-position was studied by X-ray crystallography and force-field simulation. The result of calculations by UNIVERSAL 1.02 force field in Cerius2 package（4.6） indicates that dibenzo[d,f][1,3]dioxepine derivatives show twisted conformations and the twisted angle between the phenyl rings is about 40°, which is accordant with the result from crystal structure determination, though the obtained angles in the crystal of dibenzo[d,f][1,3]dioxepine derivatives with the varied substitute groups on 6,6＇-position are shown to be slightly shifted to 40° owing to intermolecular interactions in crystal stacking. DSC studies exhibit that the substitute groups on 6,6＇-position can induce a large variation of endothermic peaks ranging from 80 to 135 ℃. The conjugated polymers based on dibenzo[d,f][1,3]dioxepine derivatives, which have ultraviolet emitting with a quantum efficiency of 10%, were obtained by Yamamoto coupling.     

基于可解释机器学习的水平井产能预测方法

准确预测致密气藏分段压裂水平井产能是压裂效果评价和优化设计的关键环节。现有的产能预测方法,引入了过多的假设和简化,很难全面反映致密储层流体多尺度的运移机理和复杂物理过程,导致产能预测误差较大。提出一种基于机器学习的致密气藏分段压裂水平井产能预测方法,该方法综合利用已收集的地质、压裂水平井产能及钻完井等多类型数据,通过机器学习算法直接挖掘数据内部规律,建立产能预测模型。此外,为解决常规机器学习模型的“黑盒子”问题,还利用SHAP(SHapley Additive exPlanations)方法对建立的机器学习模型进行全局和局部解释,分析影响产能的主要因素,增加了模型的可信性和透明度。以苏里格气田苏东示范区为例,验证了该方法的有效性和实用性。与油气藏数值方法相比,该方法不仅提高了产能预测的精度,而且缩短了建模周期,加快了计算速度。     

川西新场—什邡地区三维连片河道砂岩处理技术

川西中浅层河道砂体厚度薄、宽度窄,地震识别难度大,保持地震反射振幅与波形的相对变化关系是地震技术识别砂体展布的前提。新场—什邡地区10块三维区块资料由于采集年代跨度大、采集仪器不同、观测系统不一样,导致单块数据之间存在系统时差以及振幅、频率和波形等不一致问题。在分析原始数据基础上,明确了三维连片河道砂岩目标处理面临的问题及难点,建立了一套解决该问题的方案与思路。资料处理以提高中浅层成像效果和突出河道砂岩地震响应特征为目的,主要对时差校正、去噪、静校正、振幅恢复与补偿、反褶积、地表一致性处理、剩余静校正、数据规则化、速度分析、偏移成像和道集优化等技术进行了研究、试验和分析,并完成实际数据处理。处理成果具有高信噪比、高分辨率和较高保真度的特点,区块之间波组连续稳定一致性好,可为后续构造解释、砂体刻画、储层预测和含气性识别等研究提供高质量的基础资料。     

Tailoring Pore Structure and Morphologies in Covalent Organic Frameworks for Xe/Kr Capture and Separation

As a rising star among porous solid materials, covalent organic frameworks(COFs) with excellent properties including but not limit to facilely controllable structure, high porosity, and multi-chemical functionality represent significant potential for efficient ¹²⁷Xe/⁸⁵Kr capture and separation. In this study, through tuning the length of the organic ligands, two-dimensional(2D) COF mate-rials with identical connection group but different pore properties, denoted as ATFG-COF and TpPa-COF with AA-stacking model and TpBD-COF with AB-stacking model were synthesized and tested for Kr and Xe adsorption for the first time. Adsorption measurements indicate that the narrower pore apertures and higher porosity are conducive for COF materials to capture Xe and Kr. Furthermore, the Henry's constant, isosteric heat of adsorption(Q_st), and ideal adsorbed solution theory(IAST) selectivity of ATFG-COF, the pore size of which is closest to the kinetic diameter of the Xe atom(0.41 nm) among 2D COF materials, were carried out based on the single component sorption isotherms. The results illustrate that the high isosteric heat values of Xe/Kr adsorption on ATFG-COF are 25 and 16 kJ/mol at room temperature, respectively. Henry's law predicts that the selectivity factor of Xe to Kr is 6.07, consistent with the adsorption selectivity(ca. 6) calculated based on the IAST.     

胍盐低聚物及其在聚丙烯中的热稳定性分析

将自制的胍盐低聚物(PHMG)分别以熔融共混和键合反应的方式引入到聚丙烯(PP)基体中.用透射电子显微镜(TEM)观察了两种不同引入方式下 PHMG 在 PP 基体中的分布,并用热重分析法(TGA)研究了它们的热分解特性.研究表明:PHMG 与 PP 的熔融共混由于两者之间极性相差较大,PHMG 倾向于以团簇的形式分布在 PP 基体中,分布不均匀,其共混物倾向于按PHMG、PP 各自的规律降解;但 PHMG 与 PP 进行键合后,PHMG 则均匀分布在 PP 基体中,PHMG 倾向于与 PP 同时降解.     

晶体级联方式的宽带三倍频方案分析

 讨论了入射基频光频谱宽度、两块和频晶体失谐角对KDP晶体Ⅰ/Ⅱ/Ⅱ类角度失谐级联方式的三倍频光功率谱分布的影响,分析了影响三倍频效率的因素。研究结果表明,第二块和频晶体得到的三倍频光的功率谱分布与基频光功率谱分布及失谐角有关,三倍频光频谱宽度近似为基频光的3倍,采用该方案的三倍频可有效抑制由于基频光时间相位调制导致的三倍频光强随时间分布的不均匀,并能有效提高大带宽条件下的三倍频转换效率。同时,采用该方案的三倍频,对级联的两块和频晶体厚度及失谐角调整精度要求不高,在实验上有很大的可操作性。