气相色谱法测定焦油中微量苯稠杂环化合物

利用蒸馏分离—气相色谱法技术,建立了同时测定煤焦油中苊、氧芴和芴的分析方法。通过对色谱条件的优化,以甲苯为溶剂,正十二烷为内标物,将煤焦油馏分采用DB-5毛细管柱,对煤焦油中苊、氧芴和芴定量分析。分析结果表明:3种主要成分线性关系良好,相关系数均大于0.9995,加标回收率为95.4%~102.4%,相对标准偏差为2.89%~7.14%。该方法分离效果好,检测结果准确、可靠。     

汽油气相色谱模拟馏程的应用

介绍了用AC8612气相色谱仪对六个汽油组分馏程分析的应用情况,结果表明:该方法的重复性和准确性都较好,与D86相比,结果满足方法的再现性要求,但对于差值大于3℃的点,应定期进行修正,以使结果更准确,该方法用于炼油厂各装置汽油组分馏出口的日常质量监测分析,可以提高分析效率并减少劳动强度。     

川中地区侏罗系沙溪庙组致密气处理和解释关键技术与应用

四川盆地蕴含丰富的致密砂岩气资源，近期利用高精度三维资料开展侏罗系沙溪庙组河道砂体勘探取得突出成效。沙溪庙组河道砂体具有横向变化快、储层非均质性强的特点，因此提高河道砂体的边界识别及其含气性预测精度是致密气地震勘探的关键。通过开展AVO特征低频保护的“六分法”（分类、分频、分时、分域、分步和分区）高保真叠前去噪、近地表Q补偿和OVT域叠前时间偏移等技术攻关，形成了一套针对川中地区侏罗系沙溪庙组致密气藏的“双高”（高保真、高分辨率）地震处理技术，并创新应用“双亮点”属性及多波、多分量砂体含气性地震预测等解释技术，提高了含气砂体预测精度。该技术系列在川中沙溪庙组致密气预测应用成果显著，地震数据频带得到了拓宽，低频信息更加丰富，资料信噪比明显提升，河道边界及其含气性预测的精度大幅提高，钻井成功率超过83%，应用成果有力地支撑了该地区沙溪庙组致密气的增储上产。     

An integrated dimensionality reduction and surrogate optimization approach for plant-wide chemical process operation

With liquefied natural gas becoming increasingly prevalent as a flexible source of energy, the design and optimization of industrial refrigeration cycles becomes even more important. In this article, we propose an integrated surrogate modeling and optimization framework to model and optimize the complex CryoMan Cascade refrigeration cycle. Dimensionality reduction techniques are used to reduce the large number of process decision variables which are subsequently supplied to an array of Gaussian processes, modeling both the process objective as well as feasibility constraints. Through iterative resampling of the rigorous model, this data-driven surrogate is continually refined and subsequently optimized. This approach was not only able to improve on the results of directly optimizing the process flow sheet but also located the set of optimal operating conditions in only 2 h as opposed to the original 3 weeks, facilitating its use in the operational optimization and enhanced process design of large-scale industrial chemical systems.     

Effects of helium massive gas injection level on disruption mitigation on EAST

In this study, NIMROD simulations are performed to investigate the effects of massive helium gas injection level on the induced disruption on EAST tokamak. It is demonstrated in simulations that two different scenarios of plasma cooling(complete cooling and partial cooling) take place for different amounts of injected impurities. For the impurity injection above a critical level, a single MHD activity is able to induce a complete core temperature collapse. For impurity injection below the critical level, a series of multiple minor disruptions occur before the complete thermal quench.     

Hydrogen sulfide gas detection by Au-decorated ZnO nanotube: a computational study and comparison to experimental observations

Based on the experimental reports, Au-decoration on the ZnO nanostructures dramatically increases the electronic sensitivity to H₂S gas. In the current study, we computationally scrutinized the mechanism of Au-decoration on a ZnO nanotube (ZON) and the influence on its sensing behavior toward H₂S gas. The intrinsic ZON weakly interacted with the H₂S gas with an adsorption energy of ?11.2 kcal/mol. The interaction showed no effect on the HOMO–LUMO gap and conductivity of ZON. The predicted response of intrinsic ZON toward H₂S gas is 6.3, which increases to 78.1 by the Au-decoration at 298 K. The corresponding experimental values are about 5.0 and 80.0, indicating excellent agreement with our findings. We showed that the Au atom catalyzes the reaction 3O₂?+?2H₂S?→?2SO₂?+?2H₂O. Our calculated energy barrier (at 298 K) is about 12.3 kcal/mol for this reaction. The gap and electrical conductance Au-ZON largely changed by this reaction are attributed to the electron donation and back-donation processes. The obtained recovery time is about 1.35 ms for desorption of generated gases from the surface of the Au-ZON sensor.     

Hydrodynamics study of a fast liquid–liquid oxidation process with in situ gas production in microreactors

Hydrodynamics characteristics of a fast and highly exothermic liquid–liquid oxidation process with in situ gas production in microreactors were studied using a newly developed experimental method. In the adipic acid synthesis through the K/A oil (the mixture of cyclohexanol and cyclohexanone) oxidation with nitric acid, bubble generation modes were divided into four categories. The gas production became more intensive, unstable, even explosive with increasing the oil phase feed rate and the temperature. A novel automatic image processing method was developed to monitor the instantaneous velocity online by tracking the gas–liquid interface. The axial velocity at the same location was unstable due to the changing gas production rate. Furthermore, the actual residence time was obtained easily with being only 36% of the space–time minimally, beneficial for establishing accurate kinetics and mass transfer models with time participation. Finally, an empirical correlation was developed to predict the actual residence time under different conditions.     

油页岩干酪根热解产物特性研究

采用裂解色谱（PY-GC-MS）、电子顺磁共振波谱（EPR）和红外光谱（FTIR）等技术手段，分析了Estonia油页岩中干酪根及其热解产物的结构特性，研究了不同温度下中间产物与最终产物的关联性。结果显示：油页岩热解符合干酪根热解为中间产物热沥青，热沥青再热解为页岩油、干馏气和半焦等产物反应路径，中间产物热沥青的生成趋势反映了终产物的生成速率变化；H₂、CH₄和C₂~C₅组分主要来自热沥青中脂肪烃的芳构化、芳香族化合物烷基侧链的断裂及含氧化合物的缩聚等，干酪根热解产生的烷烃和烯烃类化合物是产油气的主要组分。干酪根和页岩油的自由基自旋浓度明显低于热沥青和半焦；半焦g值最大，干酪根次之，热沥青和页岩油的g值偏低。     

改装元素分析—稳定同位素比值质谱联用仪测定固体样品硫同位素

本文对元素分析—稳定同位素比值质谱联用仪（EA-IRMS）进行改装，并利用其测定不同形态硫同位素标准物质和样品。结果表明，在色谱柱后加装SO₂气体捕集管，可捕集氧化还原产生的SO₂气体，并重复调用作为参考气使用，无需外部引入高纯SO₂气体，减小了其对仪器管路腐蚀和实验室环境危害；硫酸钡进样量约400 μg时，捕集管中的SO₂气体可提供至少20次峰中心聚焦；改装后的EA-IRMS系统测试硫同位素标准物质（IAEA-SO-5、 IAEA-S-2、IAEA-S-3、EMA-P1），当硫元素进样量为20 μg时，δ³⁴S值测试精度达到0.2‰（n=3），4种国际标准物质测量值与真实值相关系数良好（R²=1），表明硫的不同化合物δ³⁴S值可以相互校准，也表明EA-IRMS改装后可以满足硫同位素测试精度的要求。