Enthalpy-entropy contributions to the potential of mean force of nanoscopic hydrophobic solutes

Entropic and enthalpic contributions to the hydrophobic interaction between nanoscopic hydrophobic solutes, modeled as graphene plates in water, have been calculated using molecular dynamics simulations in the isothermal-isobaric (NPT) ensemble with free energy perturbation methodology. We find the stabilizing contribution to the free energy of association (contact pair formation) to be the favorable entropic part, the enthalpic contribution being highly unfavorable. The desolvation barrier is dominated by the unfavorable enthalpic contribution, despite a fairly large favorable entropic compensation. The enthalpic contributions, incorporating the Lennard-Jones solute-solvent terms, largely determine the stability of the solvent separated configuration. We decompose the enthalpy into a direct solute-solute term, the solute-solvent interactions, and the remainder that contains pressure-volume work as well as contributions due to solvent reorganization. The enthalpic contribution due to changes in water-water interactions arising from solvent reorganization around the solute molecules is shown to have major contribution in the solvent induced enthalpy change.     

压缩感知计算随机表面的微波散射

选择谐波函数作为散射源的表征基函数,利用随机矩阵进行观测,实现了对散射源的稀疏表征,最后通过正交匹配追踪算法解算出表面散射源.利用压缩感知—正交匹配追踪算法与直接求解矩阵方程所得到的散射远场分布一致.     

灯笼图的奇优美标号

提出了灯笼图、多向灯笼图、复杂灯笼图,研究了它们的奇优美性,证明灯笼图是二分奇优美图、超级边魔幻图和超级反魔幻图.     

基于综合实验周的工程伦理教育新模式研究

通过分析工程伦理教育的独立设课和跨课程教学模式不足,结合工科专业教学体系重视实践教学的背景,首次提出在综合实验周中融入工程伦理教育的新型教学模式。具体以"材料回收与资源综合利用实验周"为例,从教学目标、内容设计、教学形式和评价标准等方面,探讨在综合实验周教学环节对学生进行工程伦理教育。新教学模式凸显工程伦理教育实践有效性,切实提高学生的工程伦理意识和工程伦理实践能力。     

Saccharide-functionalized alkanethiols for fouling-resistant self-assembled monolayers: synthesis, monolayer properties, and antifouling behavior

We describe the synthesis of a series of mono-, di-, and trisaccharide-functionalized alkanethiols as well as the formation of fouling-resistant self-assembled monolayers (SAMs) from these. The SAMs were characterized using ellipsometry, wetting measurements, and infrared reflection-absorption spectroscopy (IRAS). We show that the structure of the carbohydrate moiety affects the packing density and that this also alters the alkane chain organization. Upon increasing the size of the sugar moieties (from mono- to di- and trisaccharides), the structural qualities of the monolayers deteriorated with increasing disorder, and for the trisaccharide, slow reorganization dynamics in response to changes in the environmental polarity were observed. The antifouling properties of these SAMs were investigated through protein adsorption experiments from buffer solutions as well as settlement (attachment) tests using two common marine fouling species, zoospores of the green macroalga Ulva linza and cypris larvae of the barnacle Balanus amphitrite. The SAMs showed overall good resistance to fouling by both the proteins and the tested marine organisms. To improve the packing density of the SAMs with bulky headgroups, we employed mixed SAMs where the saccharide-thiols are diluted with a filler molecule having a small 2-hydroxyethyl headgroup. This method also provides a means by which the steric availability of sugar moieties can be varied, which is of interest for specific interaction studies with surface-bound sugars. The results of the surface dilution study and the low nonspecific adsorption onto the SAMs both indicate the feasibility of this approach.     

由活性大分子环状前体合成环状聚ε-己内酯接枝聚L-乳酸

由2,2-二丁基-2-锡-1,3-二氧环庚烷引发ε-己内酯开环聚合制得环状聚ε-己内酯(3);3与活性单体α-(1-丙烯酰氧乙基)-ε己内酯反应,合成了活性环状聚ε-己内酯(5);5在UV辐照下发生分子内交联反应制得活性大分子引发剂6;6引发L-丙交酯接枝共聚合制得环状聚ε-己内酯接枝聚L-乳酸,其结构经NMR,SEC和DSC表征。     

高压深孔YDS环氧化学灌浆技术在大岗山水电站Ⅴ_1类辉绿岩脉地层帷幕灌浆科研试验中的应用

采用高压深孔YDS环氧化学灌浆技术,对大岗山水电站Ⅴ1类辉绿岩脉地层帷幕进行现场试验,总结出用水泥/化学复合灌浆对该帷幕大规模施工的设计参数及工艺措施。试验结果表明,用水泥灌浆与YDS高渗透性环氧化学灌浆材料灌浆组成的水泥/化学复合灌浆方式在大岗山水电站能够形成可靠的防渗帷幕,该工艺技术是可行的。     

薄膜中缩聚型分形的计算机模拟

在计算机生成的二维多晶上，利用不均匀晶粒的熟化机理，对薄膜中的缩聚型分形进行了计算机模拟．分析了影响缩聚过程的各主要因素，引入了三个参数：晶界速率因子ｂ，弛豫范围Ｌ和周界曲率因素Ｕ．在一定的参数范围内，均可得到与实验图像相类似的多分叉的分形图样     

异步电动机的线性化控制模型与MATLAB仿真分析

以交流电机统一的双轴理论为基础,建立异步电动机的线性化控制模型,并对线性化控制系统的动态结构进行数值分析,所获仿真结果说明采用上述方法的有效性.