Electrochemical and quantum chemical assessment of two organic compounds from pyridine derivatives as corrosion inhibitors for mild steel in HCl solution under stagnant condition and hydrodynamic flow

 In this study, the inhibitive performance of two pyridine derivatives as corrosion inhibitors for mild steel was examined under stagnant condition and hydrodynamic flow in HCl solution at 25. °C. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques were employed. To explore the inhibitors adsorption mechanism, Langmuir isotherm and quantum chemical studies were used. The results of electrochemical measurements show that the inhibitor concentration has a positive effect on its efficiency while for hydrodynamic condition, it is vice versa. Corrosion attack morphologies were observed at stagnant and hydrodynamic conditions to verify qualitatively the results obtained by electrochemical methods. © 2013 Elsevier Ltd.

Linking water-resource models to ecosystem-response models to guide water-resource planning -- an example from the Murray--Darling Basin, Australia

Objectively assessing ecological benefits of competing watering strategies is difficult. We present a framework of coupled models to compare scenarios, using the Coorong, the estuary for the MurrayDarling River system in South Australia, as a case study. The framework links outputs from recent modelling of the effects of climate change on water availability across the MurrayDarling Basin to a hydrodynamic model for the Coorong, and then an ecosystem-response model. The approach has significant advantages, including the following: (1) evaluating management actions is straightforward because of relatively tight coupling between impacts on hydrology and ecology; (2) scenarios of 111 years reveal the impacts of realistic climatic and flow variability on Coorong ecology; and (3) ecological impact is represented in the model by a series of ecosystem states, integrating across many organisms, not just iconic species. We applied the approach to four flow scenarios, comparing conditions without development, current water-use levels, and two predicted future climate scenarios. Simulation produced a range of hydrodynamic conditions and consequent distributions of ecosystem states, allowing managers to compare scenarios. This approach could be used with many climates and/or management actions for optimisation of flow delivery to environmental assets.

Overcoming data constraints to create meaningful ecological models

Many techniques used to model ecosystems cannot be meaningfully applied to large-scale ecological problems due to data constraints. Disparate collection methods, data types and incomplete data sets, or limited theoretical understanding mean that a wide range of modelling techniques used to model physical processes or for problems specific to species or populations cannot be used at an ecosystem scale. In developing an ecological response model for the Coorong, a South Australian hypersaline estuary, we combined several flexible modelling approaches in a statistical framework to develop an approach we call ‘ecosystem states’. This model uses simulated hydrodynamic conditions as input to predict one of a suite of states per space and time, allowing prediction of likely ecological conditions under a variety of scenarios. Each ecosystem state has defined sets of biota and physico-chemical parameters. The existing model is limited in that its predictions have yet to be tested and, as yet, no spatial or temporal connectivity has been incorporated into simulated time series of ecosystem states. This approach can be used in a wide range of ecosystems, where enough data are available to model ecosystem states. We are in the process of applying the technique to a nearby lake system. This has been more difficult than for the Coorong as there is little overlap in the spatial and temporal coverage of biological data sets for that region. The approach is robust to low-quality biological data and missing environmental data, so should suit situations where community or management monitoring programs have occurred through time.

Recovery pathways from small-scale disturbance in a temperate Australian seagrass

Recovery from disturbance is a key element of ecosystem persistence, and recovery can be influenced by large-scale regional differences and smaller local-scale variations in environmental conditions. Seagrass beds are an important yet threatened nearshore habitat and recover from disturbance by regrowth, vegetative extension and dispersive propagules. We described recovery pathways from small-scale disturbances in the seagrass Zostera nigricaulis in Port Phillip Bay, a large embayment in southeastern Australia, and tested whether these pathways differed between 5 regions with different hydrodynamic conditions and water quality, and between sites within those regions. Recovery pathways were broadly consistent. When aboveground biomass was removed, recovery, defined as the point at which disturbed areas converged with undisturbed controls, took from 2 to 8 mo, but when we removed above-and below-ground biomass, it took between 2 and 13 mo. There was no evidence of recovery resulting from sexual reproduction at any sites regardless of the presence of seeds in the sediment or flower production. We found no differences in recovery at the regional scale, but we found substantial differences between local sites. At some sites, rapid recovery occurred because seagrasses grew quickly, but at others, apparent recovery occurred because regrowth coincided with overall declines in cover of undisturbed areas. Recovery time was unrelated to seagrass canopy height, biomass, percentage cover, stem density, seed bank density, epiphyte cover or sediment organic matter in seagrass adjacent to disturbance experiments. This study highlights the importance of understanding fine-scale variation in local recovery mechanisms, which may override or obscure any regional signal.

Multi-scale rheological model for discontinuous phenomena in materials under deformation conditions

A study of possibilities given by the developed Cellular Automata–Finite Element (CAFE) multi-scale model for prediction of the initiation and propagation of micro-shear bands and shear bands in metallic materials subjected to plastic deformation is described in the paper. Particular emphasis in defining the criterion for initiation of micro-shear and shear bands, as well as in defining the transition rules for the cellular automata, is put on accounting for the physical aspects of those phenomena occurring in two different scales in the material. The proposed approach led to the creation of the real multi-scale model of strain localization. This model predicts material behavior in various thermo-mechanical processes. Selected examples of applications of the developed model to simulations of metal forming processes, which involve strain localization, are presented in the paper. An approach based on the Smoothed Particle Hydrodynamic, which allows to overcome difficulties with remeshing in the traditional CAFE method, is presented in the paper as well. In this approach remeshing becomes possible and mesh distortion, which limits application of the CAFE method to simple deformation processes, is eliminated.

Hydrodynamic flow focusing to study the isolated effects of the flow components

Biological fluids such as blood, proteins and DNA solutiosn moving within fluidic channels can potentially be exposed to high level of shear, extension or mixed stress, either in vitro such as industrial processing of blood products or in vivo such as ocurrs in some pathological conditions. This exposure to a high level of strain can trigger some reactions. In most of the cases the nature of the flow is mixed with shear and extensional components. The ability ot isolate the effects of each component is critical in order to understand the mechanisms behind the reactions and potentially prevent them. Applying hydrodynamic flow focusing, we present in this investigation the characterization of microchannels that allow study of the regions of high shear or high extension strain rate. Micro channels were fabricated in polydimethyl siloxane (PDMS)  using standard soft-lithography techniques with a photolithographically patterned mold. Characterization of the regions with high shear and high extension strain rate is presented. Computational Fluid Dynamics (CFD) simulations in three dimensions have been carried out to gain more detailed local flow information, and the results have been validated experimentally. A comparison between the numerical models and experiment and is presented. The advantages of microfluidic flow focusing in the study  of the effects of shear and extension strain rates for biological fluids are outlined.

Thin film drainage : hydrodynamic and disjoining pressures determined from experimental measurements of the shape of a fluid drop approaching a solid wall

Accurate measurements of the shape of a mercury drop separated from a smooth flat solid surface by a thin aqueous film reported recently by Connor and Horn (Faraday Discuss. 2003, 123, 193-206) have been analyzed to calculate the excess pressure in the film. The analysis is based on calculating the local curvature of the mercury/aqueous interface, and relating it via the Young-Laplace equation to the pressure drop across the interface, which is the difference between the aqueous film pressure and the known internal pressure of the mercury drop. For drop shapes measured under quiescent conditions, the only contribution to film pressure is the disjoining pressure arising from double-layer forces acting between the mercury and mica surfaces. Under dynamic conditions, hydrodynamic pressure is also present, and this is calculated by subtracting the disjoining pressure from the total film pressure. The data, which were measured to investigate the thin film drainage during approach of a fluid drop to a solid wall, show a classical dimpling of the mercury drop when it approaches the mica surface. Four data sets are available, corresponding to different magnitudes and signs of disjoining pressure, obtained by controlling the surface potential of the mercury. The analysis shows that total film pressure does not vary greatly during the evolution of the dimple formed during the thin film drainage process, nor between the different data sets. The hydrodynamic pressure appears to adjust to the different disjoining pressures in such a way that the total film pressure is maintained approximately constant within the dimpled region.

The effect of surface and hydrodynamic forces on the shape of a fluid drop approaching a solid surface

This paper describes an experiment designed to measure surface and hydrodynamic forces between a mercury drop and a flat mica surface immersed in an aqueous medium. An optical interference technique allows measurement of the shape of the mercury drop as well as its distance from the mica, for various conditions of applied potential, applied pressure, and solution conditions. This enables a detailed exploration of the surface forces, particularly double-layer forces, between mercury and mica. A theoretical analysis of drop shape under the influence of surface forces shows that deformation of the drop is a sensitive indicator of the forces, as well as being a very important factor in establishing the overall interaction between the solid and the fluid.

Dynamics of interactions involving deformable drops : hydrodynamic dimpling under attractive and repulsive electrical double layer interactions

A model developed previously to analyze force measurements between two deformable droplets in the atomic force microscope [Langmuir 2005, 21, 2912-2922] is used to model the drainage of an aqueous film between a mica plate and a deformable mercury drop for both repulsive and attractive electrical double-layer interactions between the mica and the mercury. The predictions of the model are compared with previously published data [Faraday Discuss. 2003, 123, 193-206] on the evolution of the aqueous film whose thickness has been measured with subnanometer precision. Excellent agreement is found between theoretical results and experimental data. This supports the assumptions made in the model which include no-slip boundary conditions at both interfaces. Furthermore, the successful fit attests to the utility of the model as a tool to explore details of the drainage mechanisms of nanometer-thick films in which fluid flow, surface deformations, and colloidal forces are all involved. One interesting result is that the model can predict the time at which the aqueous film collapses when attractive mica-mercury forces are present without the need to invoke capillary waves or other local instabilities of the mercury/electrolyte interface.