【摘 要】
：
Based on molecular dynamics simulations,we have studied the wetting behaviors of water on the talc-like surface with different surface polarity by modifying the charge distribution of surface hydroxyl(-OH)groups.With the change of the charge of the hydrog
【机 构】
：
Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology,Shanghai Inst
论文部分内容阅读
Based on molecular dynamics simulations,we have studied the wetting behaviors of water on the talc-like surface with different surface polarity by modifying the charge distribution of surface hydroxyl(-OH)groups.With the change of the charge of the hydrogen atom(denoted asδq)in-OH group,the contact angle decreases from 91° to 50° and then remains constant.On the surfaces with the larger charge of hydrogen atoms(δq≥0.2 e),a water droplet is formed above a water monolayer,which is exactly contacted on the surface.Each water molecule in the monolayer forms one hydrogen bond(H bond)with surface-OH groups,without participating in any H bond with the water molecules within the monolayer or with the water molecules above the monolayer.The polarity of the-OH group also has a great influence on the dynamic behaviors of the interface water,such as residence time,hydrogen bond lifetime and self-diffusion coefficient.The diffusion of water molecules in the water monolayer near the highly polar surface is greatly suppressed,and the residence time of water molecules in the water monolayer even exceeds 12 ns.
其他文献
In this paper,the existence and propagation characteristics of Rossby waves in a two-layer cylindrical fluid are studied.Firstly,based on the dimensionless baroclinic quasi-geostrophic vortex equations including exogenous and dissipative,we derive new(2+1
Despite the rapid development of quantum research in recent years,there is very little research in computational geometry.In this paper,to achieve the convex hull of a point set in a quantum system,a quantum convex hull algorithm based on the quantum maxi
Entanglement is the crucial resource for different quantum information processing tasks.While conventional studies focus on the entanglement of bipartite or multipartite quantum states,recent works have extended the scenario to the entanglement of quantum
In this paper,we investigate the photon correlations and the statistical properties of light produced by an optical cavity with an embedded quantum well interacting with squeezed light.We show that the squeezed source substantially improves the intensity
The Jaynes-Cummings model plays an important role in quantum entanglement and state measurements.Here,we discuss how to realize it in a waveguide-mediated interaction system,which comprises a giant atom and a resonator.We show the vacuum Rabi splitting an
利用Illumina MiSeq测序和定量PCR技术测定宁夏中卫市兴仁镇压砂西瓜连作10 a的土壤微生物群落结构变化,结合土壤理化性质分析压砂西瓜连作下土壤生态系统响应.结果表明,随连作年限的增加,土壤pH、养分含量和土壤酶活性都逐渐下降,土壤容重呈增加趋势;连作导致压砂西瓜土壤细菌群落多样性和丰富度显著降低,真菌多样性和丰富度显著增加;细菌和真菌主要优势物种组成发生了变化,细菌中变形菌门相对丰度减少,占真菌群落总丰度的80％以上的子囊菌门和担子菌门的相对丰度随连作年限延长有差异;细菌群落生物量显著下降,
Based on the beyond-mean-field Skyrme-Hartree-Fock model,impurity effects of the Λ hyperon in the hypernuclear systems Λ25Mg and Λ29Si are investigated,respectively.Four cases,in which the Λ hyperon occupies the single-particle orbitals Λ[000]1/2+,Λ[110]1
Quantum coherence can be enhanced by placing metal nanoparticles(MNPs)in optical microcavities.Combining localized-surface plasmon resonances(LSPRs),nonlinear interaction between the LSPR and microcavity arrays of a MNP-microcavity complex offer a unique
Due to improvements in the sensitivity of gravitational wave(GW)detectors,the detection of GWs originating from the fundamental quasi-normal mode(f-mode)of neutron stars has become possible.The future detection of GWs originating from the f-mode of neutro
在测算零售业综合发展指数基础上,基于Theil指数、探索性空间数据分析研究了 2000-2017年中国零售业发展的时空分异格局,采用空间计量模型分析其驱动因素及空间溢出效应.结果表明,中国零售业发展整体水平逐渐提升,东部地区是零售业发展的主要区域,中、西部地区在零售业发展方面仍相对滞后,始终保持着“东-中-西”阶梯式递减发展格局;零售业发展的区域差异在波动中呈缩小趋势,Theil指数降幅42.38％,组间和组内差异均趋于缩小;零售业发展水平具有显著的空间正相关,“马太效应”显著,地理空间是影响其演变的重要