Effect of Concentration on Sorption of Dissolved Organics by PVC, PTFE, and Stainless Steel Well Casings

This report examines sorption of low ppb levels of organic solutions by polytetra- fluoroethylene (PTFE), rigid polyvinyl chloride (PVC), and stainless steel 304 and 316 well casings. Nineteen organics were selected, including several munitions and chlorinated solvents. Compounds were selected to offer a range of physical properties, such as solubility in water, octanol/water partition coefficient, and molecular structure. When these results were compared with the results from a similar study conducted at ppm levels, the rate and extent of sorption by PTFE and PVC were the same as seen previously for almost all analytes. There were no losses of any compounds associated with stainless steel. At these low levels (ppm and ppb), the rate of diffusion within the polymer (PVC and PTFE) is independent of concentration. Only with PTFE are the rates rapid enough to be of concern when monitoring for some contaminants in ground water. Tetrachloroethylene was the compound PTFE sorbed the most rapidly. The study showed that PVC well casings are suitable for monitoring low levels (ppm and ppb) of organics.     

Large-scale floodplain modelling

A two-dimensional horizontal finite element numerical model (RMA-2) was applied to a 24 km river channel-floodplain reach in West Germany. Initial results indicate that finite element schemes may successfully estimate inundation in large-scale floodplain applications. Potentially, the resulting detailed velocity vector distributions and identification of inundation zones throughout storm events could provide an insight into the present day sedimentary environment on the floodplain.     

Computer simulations of the structural and physical properties of the olivine and spinel polymorphs of Mg2SiO4

The aim of the work presented is to develop a computer simulation technique which will predict the structure and physical properties of forsterite and ringwoodite, the major mantle-forming polymorphs of Mg₂SiO₄. The technique is based upon energy minimization, in which all structural parameters are varied until the configuration with the lowest energy is achieved. The lattice energy and physical properties (e.g. elasticity and dielectric constants) are calculated from interatomic potentials, which generally include electrostatic and short-range terms. We investigate several types of traditional potential models, and present a new type of model which includes partial ionic charges and a Morse potential to describe the effect of covalency on the Si-O bond. This new form of potential model is highly successful, and not only reproduces the zero-pressure structural, elastic and dielectric properties of forsterite and ringwoodite, but also accurately describes their pressure dependence.     

Oxygen budget of a perennially ice-covered Antarctic lake

A bulk O2 budget for Lake Hoare, Antarctica, is presented. Five years of seasonal data show the lake to be persistently supersaturated with O2. Oxygen is carried into the lake in glacial meltstreams and is left behind when this water is removed as ice by ablation and sublimation. A diffusive loss of O2 from the lake through the summer moat is suggested. Measured values of the total O2 in the water column indicate that the time scale of O2 turnover is much longer than a year. Based on these results we suggest that the amount of O2 in the water does not change significantly throughout the year and that the lake is also supersaturated with N2.     

The lattice dynamics and thermodynamics of the Mg2SiO4 polymorphs

We use an approach based upon the Born model of solids, in which potential functions represent the interactions between atoms in a structure, to calculate the phonon dispersion of forsterite and the lattice dynamical behaviour of the beta-phase and spinel polymorphs of Mg₂SiO₄. The potential used (THB1) was derived largely empirically using data from simple binary oxides, and has previously been successfully used to model the infrared and Raman behaviour of forsterite. It includes ‘bond bending’ terms, that model the directionality of the Si-O bond, in addition to the pair-wise additive Coulombic and short range terms. The phonon dispersion relationships of the Mg₂SiO₄ polymorphs predicted by THB1 were used to calculate the heat capacities, entropies, thermal expansion coefficients and Gruneisen parameters of these phases. The predicted heat capacities and entropies are in outstandingly good agreement with those determined experimentally. The predicted thermodynamic data of these phases were used to construct a phase diagram for this system, which has Clausius-Clapeyron slopes in very close agreement with those found by experiment, but which has predicted transformation pressures that show less close agreement with those inferred from experiment. The overall success, however, that we have in predicting the lattice dynamical and thermodynamic properties of the Mg₂SiO₄ polymorphs shows that our potential THB1 represents a significant step towards finding the elusive quantitative link between the microscopic or atomistic behaviour of minerals and their macroscopic properties.     

Sulphur uptake by salt grasses,mangroves, and seagrasses in anaerobic sediments

Stable sulfur isotope analyses show that rooted estuarine plants growing in anoxic sediments incorporate substantial amounts of ³⁴S-depleted sulfides, or oxidation products thereof. In roots, this incorporation predominates over sulfate uptake from interstitial porewater. Either the plants incorporate normally toxic sulfides, or they are creating and using a specialized nutrient pool of oxidized sulfides at the root-sediment interface.