Molecular Dynamics Simulation of Structural Relaxation of Asphaltene Aggregates

For asphaltene obtained from vacuum residue of Khafji crude oil, the energy-minimum conformation calculated by molecular mechanics-dynamics simulations showed that aggregated structures of asphaltene molecules through noncovalent interactions are more stable. Changes induced in aggregated structures by pretreatment with solvents were investigated using molecular dynamics calculations. The simulation showed that in quinolin at 573 K, some staking interactions could be disrupted, while, in 1-methylnaphthalene it was not observed. Autoclave experiments showed that the coke yield after pyrolysis at 713 K was decreased when the asphaltene was pretreated with quinoline at 573 K for 1 h, compared to the yield without the pretreatment. While, in the case of pretreatment in 1-methylnaphthalene, the coke yield did not change significantly. The simulation's results above can be related to the difference in coke yield between two solvents; in quinoline some aromatic-aromatic stacking interactions could be disrupted and mobility of molecules was increased. This resulted in prevention of the asphaltenes from polymerizing, as in condensation reactions among aromatic rings. Consequently, the coke yield after the pretreatment with quinoline was decreased.     

X-ray Photoelectron Spectroscopy Investigation on the Low-Temperature Degradation of 2 mol% Y2O3-ZrO2 Ceramics

2 mol% Y₂O₃-ZrO₂ polycrystals were annealed in water and under vacuum to highlight the effect of the presence of H₂O on the low-temperature degradation transformation. The specimen surfaces with monoclinic phases transformed during annealing in the different environments were analyzed by X-ray photoelectron spectroscopy with special interest on the electron binding energy change of the constituent ions of the 2 mol% Y₂O₃-ZrO₂ ceramics after the degradation transformation. It was found that no change occurred for the electron-bonding energies of core levels of zirconium ions after the transformation, whereas Y-OH bonds were formed during annealing in water. This result suggested a possibility that the preferred hydration of yttrium took place at the surface of Y₂O₃-partially-stabilized ZrO₂, which is likely to be the reason for the low-temperature degradation accelerated by the presence of H₂O.     

Polymerization of macromers

Summary The possibility of group transfer polymerization of methyl methacrylate-terminated polystyrene macromer (MA-PSt) was explored by using 1-methoxy-1-(trimethylsiloxy)-2-methyl-1-propene and tris(dimethylamino)sulfonium difluorotrimethylsilicate as initiator and catalyst, respectively. The results obtained at the polymerization temperature of 0°C were undesirable. However, the oligomerization at -78°C gave almost quantitatively oligo(MA-PSt) of which the degree of polymerization was in good agreement with the mole ratio of macromer to initiator. The GPC curve of oligo(MA-PSt) was sharp and symmetrical. In addition, it was shown by the copolymerization with methyl methacrylate that the polymerizability of the macromer was markedly enhanced in the presence of methyl methacrylate comonomer.     

A general method for training the committee machine

A method for training the committee machine with an arbitrary logic is described. First, an expression of the discriminant function realized by the committee machine is introduced. By making use of the expression, an error-correction procedure for training the committee machine is proposed. The procedure of the perceptron is clearly explained as the special case of the proposed procedure. Experimental results show that the procedure is effective.     

Metabolic disturbance of tryptophan-nicotinamide conversion pathway by putative endocrine disruptors, bisphenol A and styrene monomer

Bisphenol A, a monomer of polycarbonate plastics, disturbed the conversion pathway of the amino acid tryptophan to the vitamin nicotinamide. The conversion ratio of tryptophan to nicotinamide was reduced to 1/15 by feeding a diet containing 1% bisphenol A. A putative disturbing reaction is kynurenine-->3-hydroxykynurenine, which is catalyzed by kynurenine monohydroxylase. This is an FAD-enzyme and requires NADPH as a coenzyme. Styrene monomer (1% addition to a normal diet) did not affect the food intake or the body weight, but slightly reduced the conversion ratio of tryptophan-nicotinamide.     

Phase diagram and Raman spectroscopy of EuCl2---NaCl binary mixtures

A phase diagram of the EuCl₂---NaCl system was determined by differential scanning calorimetry (DSC) and the activity coefficients of EuCl₂ and NaCl in this system were estimated under some assumptions. According to DSC measurement, it was found that there were two phase transitions at 1123.9 K and 1016.8 K. In order to specify the melting point of EuCl₂ we did Raman spectroscopy experiments. Thus, the melting point of EuCl₂ was evaluated to be 1016.8 K which was detected as the lower peak in the DSC curve. Raman spectroscopy of this system suggested that complex species were not formed clearly in the EuCl₂ poor system and the estimated activity coefficients of EuCl₂ also supported this suggestion.     

基于全景技术的园林游观体验视觉分析方法——以留园为例

运动视知觉是观察者认知建成环境的重要方式。全景视觉技术的发展为多视角、定量地研究园林游观体验的影响因素与作用机制提供了新思路。以生态学知觉为理论基础,借助全景影像技术重新解析园林游观体验的视知觉线索,并提出动态环境视觉信息的测度和分析方法。以苏州留园中的游园路径与景观构成为对象,定量化、可视化解析游观过程中的视觉信息的变化规律与特征,为园林游观体验机制的研究提供参考。