Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

轻质滤料滤池的试验与研究

轻质滤料滤池是以比水密度略小的滤料为滤床的滤池，通过以净水厂的原水和污水处理厂的二级处理出水为过滤试验对象，所取得的结果表明：下向流轻质滤料滤池对浊度和悬浮固体（SS）的去除率分别可以达到80％和45％，而滤床的水头损失不超过15cm。因此轻质滤料滤池可以以预过滤的形式配置在过滤处理的净水和污水的处理工艺中。     

涂料用纯丙乳液的性能研究

以甲基丙烯酸甲酯(MMA)、丙烯酸丁酯(BA)和甲基丙烯酸(MA)为主要原料,利用半连续乳液聚合工艺,制备了一种涂料用纯丙乳液基料;考察了乳化剂、引发剂用量及pH值对产物性能的影响。结果表明,当w(乳化剂)=3%,w(引发剂)=0.35%,pH在8~9左右时,涂膜的吸水率达到7.9%,残余单体量<0.5%,水稀释稳定性,钙离子稳定性,冻融稳定性均通过测试,纯丙乳液具有较好的综合性能。     

采用纯化学物质校准仪器测定钛合金中碳量

采用纯化学物质对高频加热－红外检测碳硫仪校准，对钛合金中的碳量进行测定。     

Revised Model of Strain in Ceria–Zirconia-Encapsulated Precious-Metal Particles

A previously proposed model of strain in ceria–zirconia-encapsulated precious-metal particles is revised to reflect several new observations: encapsulation of unstrained Pt particles, quantitative relation between partial reduction and the change in ceria–zirconia cell parameters, temperature/time dependence of strain relaxation/imposition in encapsulated Pd and Rh particles, and strained PdO. According to the revised model, the main cause of strain is partial oxidation of the precious metal (rather than the change in oxygen content of ceria–zirconia, as originally suggested).     

有水气藏开发早期可采储量的评价方法

有水气藏是天然气藏中的一个基本气藏类型，其采收率受多种因素的影响，如地面集输压力、井筒混合气水流动的液柱压力和储层物性等，目前普遍采用经验取值、物质平衡和气藏数值模拟等方法进行研究，但由于受开发评价阶段试采资料偏少和气藏数值模拟无法模拟井筒流动等因素的影响，早期采收率计算往往偏差较大，针对这些问题，从气田开发一体化的特点出发，提出了一种全面考虑地层→井筒→地面流动条件下，有水气藏（含凝析有水气藏）发废弃压力的计算方法，发展了利用物质平衡早期预测有水气藏采收率的理论，方法可靠、适用性强，能够推广应用。     

铁液洁净度对凝固热力学参数的影响

为了给高洁净钢连铸细晶技术提供相关理论依据，在高温钼丝炉中通过对电解纯铁加金属铝和硅脱氧，获得不同铁液洁净度的试样。利用差热分析法测定了试样在相同冷却速度下的过冷度。利用凝固过程热力学理论研究了铁液洁净度与过冷度、凝固热力学驱动力、形核功和临界晶核半径等的关系。结果表明：随着铁液洁净度的提高，铁液凝固时的过冷度增大，形核所需的凝固热力学驱动力变大，非均质形核功和临界晶核半径减小。     

磷酸盐激光玻璃中铂颗粒密度与氧化还原平衡关系的研究

用吸收光谱法研究了Ｒ２Ｏ—ＢａＯ—Ｐ２Ｏ５系统磷酸盐激光玻璃中铂颗粒密度与铭的氧化还原平衡的关系。结果表明，玻璃中铂颗粒密度随平衡向右移动而减小；玻璃中平衡随熔炼气氛中氧分压增大、熔炼温度升高而向右移动，当足够大时，铂颗粒不能形成。     

塞曼火焰原子吸收法直接测定精铟中的微量铋

文章提出了在不分离主体铟的情况下于5％的硝酸介质中，采用塞曼火焰原子吸收光谱仪于223.1nm处直接测定精铟中微量铋的吸光度。方法灵敏度高、重现性好、扣背景能力强、测定结果准确可靠，适用于精铟中铋（0．0001％-0.008％）的测定。