First principles computational studies of spontaneous reduction reaction of Eu(III) in eutectic LiCl‐KCl molten salt

Using first principles calculations, we study fundamental mechanism of spontaneous reduction reaction of Eu³⁺ to Eu²⁺ in eutectic LiCl‐KCl molten salt. We decouple the reaction Gibbs free energy into enthalpy and entropy contributions by using rigorous thermodynamic formalism. Key structural features of the solvation shell are characterized by the radial distribution function and the coordination number. Compared with Eu²⁺, the Eu³⁺ ion has a more rigid framework of the solvation shells, corroborating its stronger electrostatic interaction with neighboring ligands of Cl^? ions and a more favorable state on the aspect of enthalpy. Computations on vibrational frequency, however, pose significant contribution of vibrational entropy to the reaction Gibbs free energy for the reduction. Vibration frequency of Eu²⁺ is smaller than that of Eu³⁺, driving a more positive change of the entropy in the reduction reaction. Furthermore, an Eu²⁺ diffuses more quickly than an Eu³⁺ in the LiCl‐KCl molten salt with switching mechanism of ligand Cl^? ions in the solvation shell. Our results propose that the spontaneity of the reduction reaction is driven by the entropic contribution by overcoming the penalty of the reaction enthalpy.     

A novel hybridized metaheuristic technique in enhancing the diagnosis of cross-sectional dent damaged offshore platform members

Offshore jacket platforms are widely used for oil and gas extraction as well as transportation in shallow to moderate water depth. Tubular cross-sectional elements are used to construct offshore platforms. Tubular cross sections impart higher resistance against hydrodynamic forces and have high torsional rigidity. During operation, the members can be partially or fully damaged due to lateral impacts. The lateral impacts can be due to ship collisions or through the impact of falling objects. The impact forces can weaken some members that influence the overall performance of the platform. This demonstrates an urgent need to develop a framework that can accurately forecast dent depth as well as dent angle of the affected members. This study investigates the use of an adaptive metaheuristics algorithm to provide automatic detection of denting damage in an offshore structure. The damage information includes dent depth and the dent angle. A model is developed in combination with the percentage of the dent depth of the damaged member and is used to assess the performance of the method. It demonstrates that small changes in stiffness of individual damaged bracing members are detectable from measurements of global structural motion.     

基于计算机的镀液温度智能控制系统设计

为提高镀液温度的控制精度,以计算机为平台设计了一种镀液温度智能控制系统。设计了一种模糊PID温度控制器,可实现PID控制器参数的实时在线调整。利用动态矩阵,统计过去和当前时刻的偏差,预测未来偏差,进而得到最佳输入。最后,进行了实验研究。结果表明:镀液温度智能控制系统的收敛速率快、精度高、稳定性好,能满足电镀行业的需求,具有广阔的应用前景。     

化学沉淀-吸附法处理电镀废水的研究

采用化学沉淀-吸附法处理电镀废水。首先,采用沉淀剂MgSO4・7H2O和NazHPCX・12H2O对电镀废水进行化学沉淀处理。在优化条件下,氨氮的质量浓度由1600 mg/L降低至80 mg/L以下,磷的质量浓度为75.82 mg/Lo然后,采用吸附法对电镀废水做进一步处理。最终电镀废水中氨氮和磷的残余质量浓度均达到《电镀污染物排放标准》(GB 219002008)中规定的要求。     

P2O5对炼钢炉渣中石灰溶解过程的影响

在1400℃下，将平均尺寸φ15 mm?10 mm的石灰块投入CaO?SiO2?FeO及CaO?SiO2?FeO?P2O5两组渣系中，研究了静态条件下石灰在两组渣系中的溶解行为。结果表明，两组渣系在反应界面周围形成四个区域，即基体渣层、C2S渗透层、铁酸钙渗透层和石灰层。渗透层为石灰中的Ca2+与液渣中的Fe2+相互渗透所形成的一个多相共存区域，存在致密固相层影响石灰的溶解。渗透层中的铁酸钙层逐渐被C2S层取代，C2S层厚度不断增加最终溶解于液相渣中。5~60 s两组渣系石灰溶解速度相近，60~80 s含磷渣系石灰溶解速度显著加快。当渣中加入P2O5时，磷会固溶于C2S中形成C2S?C3P固溶体层，该层的形成会排挤FeO进入渣中，提高渣的渗透能力，加速石灰溶解。     

Neural network-based hybrid models developed for free radical polymerization of styrene

In the present work, the free radical polymerization of styrene is modeled by considering the phenomenology of the process (a simplified model, which does not include the diffusional effects, gel, and glass effects) in combination with an empirical model represented by an artificial neural network. Differential evolution (DE) algorithm, belonging to the class of evolutionary algorithms, is applied for developing the neural models in optimal forms. For improving the results—predicted conversion and molecular weights as function of time, temperature, and initiator concentration—different combinations between phenomenological model and neural network are tested; also, individual and stacked neural networks have been developed for the polymerization process. This methodology based on hybrid models, including neural networks aggregated in stacks, provides accurate results.     

Analysis of the water-soluble compounds as a tool for discriminating traditional and industrial high moisture mozzarella made with citric acid

High moisture mozzarella from cow milk is a pasta filata cheese that can be manufactured by different protocols. Fermentation by autochthonous starter is used for the traditional product, whereas direct acidification with citric acid is widely used at industrial level. Both types are stored immersed in a liquid for preserving freshness, but this packaging method is known to favour the changes of the quality characteristics. The present study aimed to assess the evolution of the soluble compounds and to evaluate their use as chemical indices for discriminating the two types of mozzarella. The contents of lactose, organic acids, water-soluble nitrogen and free amino acids differently changed over time. The whole patterns of these soluble compounds allowed discrimination of the two products during the whole storage period. The simple analyses of lactic acid and lactose could be a rapid tool to protect traditional mozzarella from industrial imitations obtained with citric acid.     

Invited review: Freedom from thirst—Do dairy cows and calves have sufficient access to drinking water?

The importance of drinking water for production and animal welfare is widely recognized, but surveys and animal welfare assessment schemes suggest that many dairy calves and dairy cows do not have sufficient access. Limit milk-fed calves drink more water than calves fed milk ad libitum, but ad libitum milk-fed calves also require access to drinking water, as milk does not meet the animal's requirement for water. At hot ambient temperatures and when calves are sick, access to water is especially important and should be provided at all times. Many young calves do not have access to water throughout 24 h, and whether healthy young calves require free access to water at all times, or from which age, is not clear and requires further study. Dairy cow free water intake (FWI) is largely determined by milk yield, and high-yielding dairy cows may drink up 100 L of water per day. Dry matter, crude protein, and salt content of feed, as well as ambient temperature, have considerable effects on dairy cow water intake. Deprivation of water affects meal patterning for the cow, as well as increased subsequent rate of drinking and compensatory water intake. Although dairy cow ad libitum water intake may exceed the water provision necessary to maintain production, offering water for ad libitum intake may be necessary to safe guard animal welfare. Cattle are suction drinkers that prefer to drink from large open water surfaces, and Holstein dairy cows can drink at a rate of up to 24 L/min. Research on the effect of design and placement of water troughs for indoor-housed dairy cows on their drinking behavior and water intake is limited. Access to a water source at pasture increases the time cows spend there, and access to shade reduces water requirements during periods of warm weather. In both indoor and pastured cattle, there is a lack of knowledge about the effect of stocking of water troughs on competition, drinking behavior, and intake in dairy cows. Studies on the effect of available water trough length and placement, and of the number of cows being able to drink from the same trough of a given dimension, are needed to evaluate current recommendations.     

基于EPR检测技术的香兰素热解机理研究

采用香兰素为木质素模型化合物,结合电子顺磁共振技术（EPR）以检测其热解反应的中间产物,通过确定中间产物的变化规律论证香兰素的热解机理及热解的反应路径。结果表明,对于香兰素而言,原位检测得到结焦中间产物的前驱体和一大部分稳定的碳自由基,而冷阱-捕获到的自由基主要为苯甲酰自由基、甲基自由基、OH自由基和H自由基。证明了香兰素的热解反应过程中存在自由基反应,同时也确认并提出了香兰素热解的反应路径。