Structure of coexisting liquid phases of supercooled water: analogy with ice polymorphs.

The structural changes occurring in supercooled liquid water upon moving from one coexisting liquid phase to the other have been investigated by computer simulation using a polarizable interaction potential model. The obtained results favorably compare with recent neutron scattering data of high and low density water. In order to assess the physical origin of the observed structural changes, computer simulation of several ice polymorphs has also been carried out. Our results show that there is a strict analogy between the structure of various disordered (supercooled) and ordered (ice) phases of water, suggesting that the occurrence of several different phases of supercooled water is rooted in the same physical origin that is responsible for ice polymorphism.

Between scylla and charybdis: Hydrophobic graphene-guided water diffusion on hydrophilic substrates

The structure of water confined in nanometer-sized cavities is important because, at this scale, a large fraction of hydrogen bonds can be perturbed by interaction with the confining walls. Unusual fluidity properties can thus be expected in the narrow pores, leading to new phenomena like the enhanced fluidity reported in carbon nanotubes. Crystalline mica and amorphous silicon dioxide are hydrophilic substrates that strongly adsorb water. Graphene, on the other hand, interacts weakly with water. This presents the question as to what determines the structure and diffusivity of water when intercalated between hydrophilic substrates and hydrophobic graphene. Using atomic force microscopy, we have found that while the hydrophilic substrates determine the structure of water near its surface, graphene guides its diffusion, favouring growth of intercalated water domains along the C-C bond zigzag direction. Molecular dynamics and density functional calculations are provided to help understand the highly anisotropic water stripe patterns observed.

Characterisation of a high plasticity marine clay using a T-bar penetrometer

A series of laboratory-scale T-bar penetrometer tests have been conducted on a clay bed virgin consolidated from reconstituted high plasticity marine clay. This investigation was mainly concerned with the effects on the penetration resistance of rate of penetration and the presence of free water on the surface of the clay bed. The rate of penetration varied between 0.005mm/s and 50mm/s. The results showed that the nature of soil resistance was 'undrained' over the range of speeds studied, and the resistance showed a marked viscous rate effect. The virgin consolidated clay bed exhibited an increase in penetration resistance by up to 35% for a factor 10 increase in rate of penetration much larger than values previously reported for kaolin. The presence of water on the surface of clay bed had a profound impact on penetration resistance, particularly on the remoulded strength obtained by taking the T-bar through successive penetration and extraction cycles. This was true even when the remoulding cycles were conducted without the T-bar breaking through the clay surface.

A fixed-grid b-spline finite element technique for fluid-structure interaction

We present a fixed-grid finite element technique for fluid-structure interaction problems involving incompressible viscous flows and thin structures. The flow equations are discretised with isoparametric b-spline basis functions defined on a logically Cartesian grid. In addition, the previously proposed subdivision-stabilisation technique is used to ensure inf-sup stability. The beam equations are discretised with b-splines and the shell equations with subdivision basis functions, both leading to a rotation-free formulation. The interface conditions between the fluid and the structure are enforced with the Nitsche technique. The resulting coupled system of equations is solved with a Dirichlet-Robin partitioning scheme, and the fluid equations are solved with a pressure-correction method. Auxiliary techniques employed for improving numerical robustness include the level-set based implicit representation of the structure interface on the fluid grid, a cut-cell integration algorithm based on marching tetrahedra and the conservative data transfer between the fluid and structure discretisations. A number of verification and validation examples, primarily motivated by animal locomotion in air or water, demonstrate the robustness and efficiency of our approach. © 2013 John Wiley & Sons, Ltd.

Microfabries of lacustrine sediments to pollutant adsorption from a polluted Eutrophic lake, the Yangtze delta region

Two types of microfabrics relating to pollutant adsorption were studied in the scanning electronic microscope (SEM) in a polluted, eutrophic lake, the Yangtze delta region. Agglutinational texture or the aggregates of small particles are composed of clay minerals and fine organic fragments among the silty grains and the coatings with a thickness about 1 mu m were on the surfaces of the silty grains in the sediments. The chemical constituents of the aggregates and the coatings are K, Na, Ca, Mg, Si, Al, O, Fe, Ti, C, N and P determined in X-ray energy spectrometry connected with the SEM. In some cases, Pb was detected in the aggregates in the top sediment. It is suggested that nutrients and metals are adsorbed to the aggregates, which were formed by electrostatic attraction of physicochemical floes. The coatings on the surface of quartz grains were formed by the interaction of dissociated Al, Si, Fe, etc from silicates with dissolved N, P and C nutrients in interstitial water, which was aroused by human pollution to the lake in recent two decades.

Interaction of linear waves with an array of infinitely long horizontal circular cylinders in a two-layer fluid of infinite depth

The linear water wave scattering and radiation by an array of infinitely long horizontal circular cylinders in a two-layer fluid of infinite depth is investigated by use of the multipole expansion method. The diffracted and radiated potentials are expressed as a linear combination of infinite multipoles placed at the centre of each cylinder with unknown coefficients to be determined by the cylinder boundary conditions. Analytical expressions for wave forces, hydrodynamic coefficients, reflection and transmission coefficients and energies are derived. Comparisons are made between the present analytical results and those obtained by the boundary element method, and some examples are presented to illustrate the hydrodynamic behavior of multiple horizontal circular cylinders in a two-layer fluid. It is found that for two submerged circular cylinders the influence of the fluid density ratio on internal-mode wave forces is more appreciable than surface-mode wave forces, and the periodic oscillations of hydrodynamic results occur with the increase of the distance between two cylinders; for four submerged circular cylinders the influence of adding two cylinders on the wave forces of the former cylinders is small in low and high wave frequencies, but the influence is appreciable in intermediate wave frequencies.

Interaction of linear waves with infinitely long horizontal cylinders studied by boundary element method

The two-dimensional problems concerning the interaction of linear water waves with cylinders of arbitrary shape in two-layer deep water are investigated by use of the Boundary Integral Equation method (BIEM). Simpler new expressions for the Green functions are derived, and verified by comparison of results obtained by BIEM with these by an analytical method. Examined are the radiation and scattering of linear waves by two typical configurations of cylinders in two-layer deep water. Hydrodynamic behaviors including hydrodynamic coefficients, wave forces, reflection and transmission coefficients and energies are analyzed in detail, and some interesting physical phenomena are observed.

Study on Water Resources Regulation and Reservoir Operating Prediction for Suppression of Salt Water Intrusion in the Pearl River Estuary

Salt water intrusion occurred frequently during dry season in Modaomen waterway of the Pearl River Estuary. With the development of region's economy and urbanization, the salt tides affect the region's water supply more and more seriously in recent years. Regulation and allocation of freshwater resources of the upper rivers of the estuary to suppress the salt tides is becoming important measures for ensuring the water supply security of the region in dry season. The observation data analysis showed that the flow value at the Wuzhou hydrometric station on the upper Xijiang river had a good correlation with the salinity in Modaomen estuary. Thus the flow rate of Wuzhou has been used as a control variable for suppression of salt tides in Modaomen estuary. However, the runoff at Wuzhou mainly comes from the discharge of Longtan reservoir on the upper reaches of Xijiang river and the runoff in the interval open valley between Longtan and Wuzhou sections. As the long distance and many tributaries as well as the large non-controlled watershed between this two sections, the reservoir water scheduling has a need for reasonable considering of interaction between the reservoir regulating discharge and the runoff process of the interval open watershed while the deployment of suppression flow at Wuzhou requires longer lasting time and high precision for the salt tide cycles. For this purpose, this study established a runoff model for Longtan - Wuzhou interval drainage area and by model calculations and observation data analysis, helped to understand the response patterns of the flow rate at Wuzhou to the water discharge of Longtan under the interval water basin runoff participating conditions. On this basis, further discussions were taken on prediction methods of Longtan reservoir discharge scheduling scheme for saline intrusion suppression and provided scientific and typical implementation programs for effective suppression flow process at the Wuzhou section.

Kinetics of acetic acid esterification with 2-ethoxyethanol over an Al-pillared clay catalyst

The Al-pillared clay catalyst obtained by exposing activated clay powder to sulfuric acid and aluminium salts and calcining in air at 373-673 K, was found to be highly active for the title reaction. The results indicated that pillared layer clay of the mixed oxide has been employed as parent catalysts for their definite structure and special properties which can be modified by the substitution of L and B acid sites cations. Solid acid catalyst of Supported aluminium was found to be highly active and selective at the 373-473 K temperature range for heterogeneous esterification. The activity is mainly attributed to the Lewis (and a considerably small number of Bronsted) acid sites whose number and strength increased due to pillaring. The water produced in the esterification can be induced by Al3+, which makes the catalyst surface to form strong B acid. Their acidities are obtained by pH measurement. If only B acid sites are > 70%, and pH < 1 in the 2-ethoxyethanol, there exists an activity of esterification. The used catalyst gave identical results with that of the fresh one. X-ray diffraction spectra show that the composition and active phase of the used catalysts are the same as the fresh ones. The kinetic study of the reaction was carried out by an integral method of analysis. The kinetic equation of surface esterification is y = 2.36x - 0.98.

Emergy Assessment of a Wheat-Maize Rotation System with Different Water Assignments in the North China Plain

Sustainable water use is seriously compromised in the North China Plain (NCP) due to the huge water requirements of agriculture, the largest use of water resources. An integrated approach which combines the ecosystem model with emergy analysis is presented to determine the optimum quantity of irrigation for sustainable development in irrigated cropping systems. Since the traditional emergy method pays little attention to the dynamic interaction among components of the ecological system and dynamic emergy accounting is in its infancy, it is hard to evaluate the cropping system in hypothetical situations or in response to specific changes. In order to solve this problem, an ecosystem model (Vegetation Interface Processes (VIP) model) is introduced for emergy analysis to describe the production processes. Some raw data, collected by investigating or observing in conventional emergy analysis, may be calculated by the VIP model in the new approach. To demonstrate the advantage of this new approach, we use it to assess the wheat-maize rotation cropping system at different irrigation levels and derive the optimum quantity of irrigation according to the index of ecosystem sustainable development in NCP. The results show, the optimum quantity of irrigation in this region should be 240-330 mm per year in the wheat system and no irrigation in the maize system, because with this quantity of irrigation the rotation crop system reveals: best efficiency in energy transformation (transformity = 6.05E + 4 sej/J); highest sustainability (renewability = 25%); lowest environmental impact (environmental loading ratio = 3.5) and the greatest sustainability index (Emergy Sustainability Index = 0.47) compared with the system in other irrigation amounts. This study demonstrates that application of the new approach is broader than the conventional emergy analysis and the new approach is helpful in optimizing resources allocation, resource-savings and maintaining agricultural sustainability.

Sulfonated poly(ether ether ketone)/clay-SO3H hybrid proton exchange membranes for direct methanol fuel cells Journal of Power Sources

A new type of sulfonated clay (clay-SO3H) was prepared by the ion exchange method with the sulfanilic acid as the surfactant agent. The grafted amount of sulfanilic acid in clay-SO3H was 51.8 mequiv. (100 g)(-1), which was measured by thermogravimetric analysis (TGA). Sulfonated poly(ether ether ketone) (SPEEK)/clay-SO3H hybrid membranes which composed of SPEEK and different weight contents of clay-SO3H, were prepared by a solution casting and evaporation method. For comparison, the SPEEK/clay hybrid membranes were produced with the same method.

Spontaneous volume transition of polyampholyte nanocomposite hydrogels based on pure electrostatic interaction

A circular system is employed in this paper to investigate the swelling behaviors of polyampholyte hydrogels; this circular system can effectively eliminate the disturbance of various factors and keep the surrounding environment constant. It is found that there exists a spontaneous volume transition to the collapsed state of polyampholyte hydrogels, which is attributed to the overshooting effect, and the transition can occur repeatedly under certain conditions. C-13 NMR is employed to investigate the swelling behavior of polyampholyte hydrogels.

Microstructure and Deformation Behavior of Polyethylene/Montmorillonite Nanocomposites with Strong Interfacial Interaction

Deformation behavior of polyethylene/modified montmorillonites with polymerizable surfactant (PE/P-MMT) nanocomposite with strong interfacial interaction was studied by means of morphology observation and X-ray scattering measurements. The orientation of PE chains was accompanied by the orientation of well-dispersed MMT platelets due to the presence of strong interfacial interaction, and both of the orientations were parallel to the deformation direction. The high degree of orientation of MMT platelets and PE chains resulted from the synergistic movement of PE matrix and MMTs, which originated from the presence of a network-like structure.

Polyampholytes superabsorbent nanocomposites with excellent gel strength

A series of novel polyampholyte superabsorbent nanocomposites with excellent gel strength were synthesized by in situ solution polymerization in aqueous solution. Acrylic acid and acryloyloxyethyl trimethyl ammonium chloride (DAC) were employed as ionic monomers and montmorillonite (MMT) was used as inorganic component. The addition of cationic component could supply the positive charge in the network of nanocomposite and promote the formation of nanostructure of composites due to the interaction between DAC and clay platelets. The performance of polyampholyte nanocomposites were investigated and the result showed that the gel strength of nanocomposite hydrogel in distilled water and 0.9 wt% NaCl solution could reach 198.85 and 204.23 mJ/g, respectively, which were 13 times of the gel strength of matrix. The investigation of swelling behaviors showed that the nanocomposites had particular swelling behaviors of polyampholytes hydrogel in solution with different pH values and concentration of NaCl.

Water-resistant conducting hybrids from electrostatic interactions

Conductive hybrids were prepared in a water/ethanol solution via the Solgel process from an inorganic sol containing carboxyl groups and water-borne conductive polyaniline (cPANI). The inorganic sol was prepared by the hydrolysis and condensation of methyltriethoxysilane with the condensed product of maleic anhydride and aminopropyltriethoxysilane as a catalyst, for which the carboxyl counterion along the cPANI backbone acted as an electrostatic-interaction moiety. The existence of this electrostatic interaction could improve the compatibility of the two components and contribute to the homogeneous dispersion of cPANI in the silica phase. The electrostaticinteraction hybrids displayed a conductivity percolation threshold as low as 1.1 wt % polyaniline in an emeraldine base, showing 2 orders of magnitude higher electrical conductivity than that without electrostatic interactions. The electrostatic-interaction hybrids also showed good water resistance; the electrical conductivity with a cPANI loading of 16 wt % underwent a slight change after 14 days of soaking in water.