Diameter of Single-Walled Carbon Nanotubes (SWCNTs) as an Effective Factor in the Detection and Degradation of PCBs

Polychlorinated biphenyls (PCBs) are chlorinated organic compounds and well known carcinogenic and toxic pollutants. Currently, their detection and degradation to products with less risk are among environmental and health priorities. Passing 2,2′,4,4′,5,5′-Hexachlorobiphenyl (PCB-153) through the armchair single-walled carbon nanotubes (SWCNTs) (8, 8) and (10, 10) was investigated by Modified Neglect of Diatomic Overlap in the semi-empirical method. The analysis of results suggests that there are meaningful changes in the middle of the tubes. Based on the obtained evidence, the nanotubes have substantial potential to interact with the PCB-153 molecule effectively. The results show that the increased diameter in the armchair SWCNTs improves the detection and degradation potential of the tube to PCBs. According to the calculated thermodynamic parameters, the diameter of nano-structures is an effective factor in PCBs removal efficiency, as it could be helpful to make a more sensitive PCB nano-sensor.     

二次侧非能动余热排出系统流动不稳定性研究

二次侧非能动余热排出（ASP）系统是压水堆核电厂应对全厂断电事故的重要措施之一。为研究ASP系统的运行特性，设计建造了ASP系统试验装置（ASPTF）。在ASPTF上开展了ASP系统运行稳定性影响试验，并对试验结果进行了理论分析。试验研究与理论分析结果表明：低压低功率下ASP系统中出现流动不稳定性；增加蒸汽管线或回水管线阻力系数可抑制ASP系统出现流动不稳定性；降低加热功率时ASP系统更易出现流动不稳定性；主泵运行状态影响ASP系统的输入功率进而影响系统的流动不稳定性。     

我国放顶煤开采的工程实践与理论进展

系统总结了35年来我国放顶煤开采的工程实践历程，将其分为探索阶段、推广应用阶段、拓展阶段、成熟与输出阶段，放顶煤技术已经成为我国煤炭开采在世界上的标志性技术和成果。将放顶煤开采的理论研究与进展归纳为借鉴阶段、探索阶段和创新阶段，介绍了在放煤规律方面的创新性理论成果，提出了下一步放顶煤开采的理论研究要针对性地开展顶煤破碎机理、散体顶煤放出规律、支架与围岩关系、岩层移动规律、全煤巷道支护机理、放顶煤开采的经济学基础等方面研究，深入的理论研究可以进一步指导放顶煤技术完善和扩大应用范围。     

纸浆漂白成本在线计算模型构建及应用研究

能源和化学品价格的快速上涨使得制浆工作者尤为关注如何降低纸浆漂白成本。本研究构建了纸浆漂白成本的在线计算模型，并应用于典型ECF漂白技术（D₀EpPD₁），同时系统分析了影响纸浆漂白成本的主要因素和该模型在漂白工艺条件优化过程中的应用效果。研究发现，化学品成本是影响漂白成本的最主要因素，其次是能源成本、废水处理成本、清水成本；化学品中ClO₂用量对纸浆漂白成本的影响最大，其次是H₂O₂用量，NaOH用量影响最小；能源成本中蒸汽用量对纸浆漂白成本影响最大；而清水成本和废水处理成本影响最小；通过对化学品用量、漂白温度等漂白工艺条件的调整可降低纸浆漂白成本；该模型可实现对漂白工艺条件的优化或能源及化学品价格变化后纸浆漂白成本的在线预测，也是实现纸浆漂白系统全局优化、进一步降低漂白成本的基础。     

连续管疲劳寿命预测软件开发及应用

连续管在作业过程中,复杂的周期性载荷作用、腐蚀、机械损伤、制造缺陷和人为误操作等都会导致连续管寿命的缩短。为此,基于Qt平台、疲劳寿命理论和国内外大量经验数据开发出了连续管疲劳寿命预测软件。通过该软件计算分析了连续管弯曲半径、壁厚和内压等对其疲劳寿命的影响,并进行了可行性验证。分析结果表明:该软件能够有效地计算出连续管疲劳寿命值;连续管内部压力的增大使其疲劳寿命的缩短由快速到缓慢,当内压增大到一定值时,连续管基本失去承载能力;选择合适的滚筒尺寸可以延长连续管的使用寿命;建议选用壁厚较大或者变壁厚的连续管。该软件的开发对连续管在工程中的应用和安全评估具有重要的指导意义。     

打印层厚度对FDM薄板固有特性的影响

针对不同打印层厚度对熔融沉积成型(fused deposition modeling,简称FDM)薄板固有特性的影响规律及相应的机理进行了研究。首先,以悬臂边界条件下的FDM薄板为研究对象,创建了固有特性理论模型;其次,完成了薄板样件的制备,同时搭建了样件的动力学测试系统,实验研究了样件的固有特性参数;最后,对比分析理论与实验结果,以验证理论模型的正确性。研究结果表明,所建模型可以准确预测FDM薄板结构的固有特征参数;打印层越厚,样件的固有频率越高,但其模态振型不会随着打印层厚度的变化而变化。该研究为提高FDM产品动力学性能提供了理论基础和技术支持。     

金属薄板平面铣削形变分析与控制

由于初始残余应力的作用,金属薄板平面加工普遍存在加工难度大,加工变形严重等问题,难以保证板面的加工质量。以不锈钢薄板的平面加工为基础,通过理论分析、仿真模拟和实验验证的方式,对金属薄板的加工形变进行较为系统的研究,分析了金属薄板加工形变的关键因素,总结了金属薄板残余应力分布形式以及有效避免加工形变的工艺方法,为类似金属板材加工提供理论参考依据。     

Excited States and Photodebromination of Selected Polybrominated Diphenyl Ethers: Computational and Quantitative Structure—Property Relationship Studies

This paper presents a density functional theory (DFT)/time-dependent DFT (TD-DFT) study on the lowest lying singlet and triplet excited states of 20 selected polybrominateddiphenyl ether (PBDE) congeners, with the solvation effect included in the calculations using the polarized continuum model (PCM). The results obtained showed that for most of the brominated diphenyl ether (BDE) congeners, the lowest singlet excited state was initiated by the electron transfer from HOMO to LUMO, involving a π–σ* excitation. In triplet excited states, structure of the BDE congeners differed notably from that of the BDE ground states with one of the specific C–Br bonds bending off the aromatic plane. In addition, the partial least squares regression (PLSR), principal component analysis-multiple linear regression analysis (PCA-MLR), and back propagation artificial neural network (BP-ANN) approaches were employed for a quantitative structure-property relationship (QSPR) study. Based on the previously reported kinetic data for the debromination by ultraviolet (UV) and sunlight, obtained QSPR models exhibited a reasonable evaluation of the photodebromination reactivity even when the BDE congeners had same degree of bromination, albeit different patterns of bromination.