Predicting the effects of nitrogen and planting density on maize water use in semi-arid Kenya

Models are important tools to assess the scope of management effects on crop productivity under different climatic and soil regimes. Accordingly, this study developed and used a simple model to assess the effects of nitrogen fertiliser and planting density on the water use efficiency (q) of maize in semi-arid Kenya. Field experiments were undertaken at Sonning, Berkshire, UK, in 1996 (one sowing) and 1997 (two sowings). The results from the field experiments plus soil and weather data for Machakos, Kenya (1 degree 33'S, 37 degree 14'E and 1560 m above sea level), were then used to predict the effects that N application and planting density may have on water use by a maize crop grown in semi-arid Kenya. The increase in q due to N application was greater under irrigated (15%-19%) than rainfed (7%-8%) conditions. Also, high planting density increased q (by 13%) under irrigation but decreased q (by 17%) under rainfed conditions. The current study has shown the significance of crop modelling techniques in assessing the influence of N and planting density on maize production in one region of semi-arid Kenya where there is high variability of rainfall.

Modelling the partitioning of evapotranspiration in a maize-sunflower intercrop

The primary purpose of this study was to model the partitioning of evapotranspiration in a maize-sunflower intercrop at various canopy covers. The Shuttleworth-Wallace (SW) model was extended for intercropping systems to include both crop transpiration and soil evaporation and allowing interaction between the two. To test the accuracy of the extended SW model, two field experiments of maize-sunflower intercrop were conducted in 1998 and 1999. Plant transpiration and soil evaporation were measured using sap flow gauges and lysimeters, respectively. The mean prediction error (simulated minus measured values) for transpiration was zero (which indicated no overall bias in estimation error), and its accuracy was not affected by the plant growth stages, but simulated transpiration during high measured transpiration rates tended to be slightly underestimated. Overall, the predictions for daily soil evaporation were also accurate. Model estimation errors were probably due to the simplified modelling of soil water content, stomatal resistances and soil heat flux as well as due to the uncertainties in characterising the 2 micrometeorological conditions. The SW’s prediction of transpiration was most sensitive to parameters most directly related to the canopy characteristics such as the partitioning of captured solar radiation, canopy resistance, and bulk boundary layer resistance.

Water use of a bioenergy plantation increases in a future high CO2 world

Fast-growing poplar trees may in future be used as a source of renewable energy for heat, electricity and biofuels such as bioethanol. Water use in Populus x euramericana (clone I214), following long-term exposure to elevated CO2 in the POPFACE (poplar free-air carbon dioxide enrichment) experiment, is quantified here. Stomatal conductance was measured and, during two measurement campaigns made before and after coppicing, whole-tree water use was determined using heat-balance sap-flow gauges, first validated using eddy covariance measurements of latent heat flux. Water use was determined by the balance between leaf-level reductions in stomatal conductance and tree-level stimulations in transpiration. Reductions in stomatal conductance were found that varied between 16 and 39% relative to ambient air. Whole-tree sap flow was increased in plants growing under elevated CO2, on average, by 12 and 23%, respectively, in the first and in the second measurement campaigns. These results suggest that future CO2 concentrations may result in an increase in seasonal water use in fast-growing, short-rotation Populus plantations.

Modelling 2,4-dichlorophenol bioavailability and bioaccumulation by the freshwater fingernail clam Sphaerium corneum using artificial particles and humic acids

The complex and variable composition of natural sediments makes it very difficult to predict the bioavailability and bioaccumulation of sediment-bound contaminants. Several approaches have been proposed to overcome this problem, including an experimental model using artificial particles with or without humic acids as a source of organic matter. For this work, we have applied this experimental model, and also a sample of a natural sediment, to investigate the uptake and bioaccumulation of 2,4-dichlorophenol (2,4-DCP) by Sphaerium corneum. Additionally, the particle-water partition coefficients (K-d) were calculated. The results showed that the bioaccumulation of 2,4-DCP by clams did not depend solely on the levels of chemical dissolved, but also on the amount sorbed onto the particles and the characteristics and the strength of that binding. This study confirms the value of using artificial particles as a suitable experimental model for assessing the fate of sediment-bound contaminants. (c) 2006 Elsevier Ltd. All rights reserved.

Modelling the torsional interaction of wire and polyester fibre ropes used for offshore moorings

Oil rig mooring lines have traditionally consisted of chain and wire rope. As production has moved into deeper water it has proved advantageous to incorporate sections of fibre rope into the mooring lines. However, this has highlighted torsional interaction problems that can occur when ropes of different types are joined together. This paper describes a method by which the torsional properties of ropes can be modelled and can then be used to calculate the rotation and torque for two ropes connected in series. The method uses numerical representations of the torsional characteristics of both the ropes, and equates the torque generated in each rope under load to determine the rotation at the connection point. Data from rope torsional characterization tests have been analysed to derive constants used in the numerical model. Constants are presented for: a six-strand wire rope; a torque-balanced fibre rope; and a fibre rope that has been designed to be torque-matched to stranded wire rope. The calculation method has been verified by comparing predicted rotations with measured test values. Worked examples are given for a six-strand wire rope connected, firstly, to a torque-balanced fibre rope that offers little rotational restraint, and, secondly, to a fibre rope whose torsional properties are matched to that of the wire rope.

Crumpet structures: experimental and modelling studies

Crumpets are made by heating fermented batter on a hot plate at around 230°C. The characteristic structure dominated by vertical pores develops rapidly: structure has developed throughout around 75% of the product height within 30s, which is far faster than might be expected from transient heat conduction through the batter. Cooking is complete within around 3 min. Image analysis based on results from X-ray tomography shows that the voidage fraction is approximately constant and that there is continual coalescence between the larger pores throughout the product although there is also a steady level of small bubbles trapped within the solidified batter. We report here experimental studies which shed light on some of the mechanisms responsible for this structure, together with some models of key phenomena.Three aspects are discussed here: the role of gas (carbon dioxide and nitrogen) nuclei in initiating structure development; convective heat transfer inside the developing pores; and the kinetics of setting the batter into an elastic solid structure. It is shown conclusively that the small bubbles of carbon dioxide resulting from the fermentation stage play a crucial role as nuclei for pore development: without these nuclei, the result is not a porous structure, but rather a solid, elastic, inedible, gelatinized product. These nuclei are also responsible for the tiny bubbles which are set in the final product. The nuclei form the source of the dominant pore structure which is largely driven by the, initially explosive, release of water vapour from the batter together with the desorption of dissolved carbon dioxide. It is argued that the rapid evaporation, transport and condensation of steam within the growing pores provides an important mechanism, as in a heat pipe, for rapid heat transfer, and models for this process are developed and tested. The setting of the continuous batter phase is essential for final product quality: studies using differential scanning calorimetry and on the kinetics of change in the visco-elastic properties of the batter suggest that this process is driven by the kinetics of gelatinization. Unlike many thermally driven food processes the rates of heating are such that gelatinization kinetics cannot be neglected. The implications of these results for modelling and for the development of novel structures are discussed.

Numerical modelling of two-way propagation of non-linear dispersive waves

We describe and implement a fully discrete spectral method for the numerical solution of a class of non-linear, dispersive systems of Boussinesq type, modelling two-way propagation of long water waves of small amplitude in a channel. For three particular systems, we investigate properties of the numerically computed solutions; in particular we study the generation and interaction of approximate solitary waves.

Modelling fixed plant and algal dynamics in rivers: an application to the River Frome

The development of eutrophication in river systems is poorly understood given the complex relationship between fixed plants, algae, hydrodynamics, water chemistry and solar radiation. However there is a pressing need to understand the relationship between the ecological status of rivers and the controlling environmental factors to help the reasoned implementation of the Water Framework Directive and Catchment Sensitive Farming in the UK. This research aims to create a dynamic, process-based, mathematical in-stream model to simulate the growth and competition of different vegetation types (macrophytes, phytoplankton and benthic algae) in rivers. The model, applied to the River Frome (Dorset, UK), captured well the seasonality of simulated vegetation types (suspended algae, macrophytes, epiphytes, sediment biofilm). Macrophyte results showed that local knowledge is important for explaining unusual changes in biomass. Fixed algae simulations indicated the need for the more detailed representation of various herbivorous grazer groups, however this would increase the model complexity, the number of model parameters and the required observation data to better define the model. The model results also highlighted that simulating only phytoplankton is insufficient in river systems, because the majority of the suspended algae have benthic origin in short retention time rivers. Therefore, there is a need for modelling tools that link the benthic and free-floating habitats.

Adapting to climate change impacts on water resources in England - an assessment of draft Water Resources Management Plans

Climate change is expected to produce reductions in water availability in England, potentially necessitating adaptive action by the water industry to maintain supplies. As part of Ofwat's fifth Periodic Review (PR09), water companies recently released their draft Water Resources Management Plans, setting out how each company intends to maintain the balance between the supply and demand for water over the next 25 years, following Environment Agency guidelines. This paper reviews these plans to determine company estimates of the impact of climate change on water supply relative to other resource pressures. The approaches adopted for incorporating the impact in the plans and the proposed management solutions are also identified. Climate change impacts for individual resource zones range from no reductions in deployable output to greater than 50% over the planning period. The estimated national aggregated loss of deployable output under a “core” climate scenario is ~520 Ml/d (3% of deployable output) by 2034/35, the equivalent of the supply of one entire water company (South West Water). Climate change is the largest single driver of change in water supplies over the planning period. Over half of the climate change impact is concentrated in southern England. In extreme cases, climate change uncertainty is of the same magnitude as the change under the core scenario (up to a loss of ~475 Ml/d). 44 of the 68 resource zones with available data are estimated to have a climate change impact. In 35 of these climate change has the greatest impact although in 10 zones sustainability reductions have a greater impact. Of the overall change in downward pressure on the supply-demand balance over the planning period, ~56% is accounted for by increased demand (620 Ml/d) and supply side climate change accounts for ~37% (407 Ml/d). Climate change impacts have a cumulative impact in concert with other changing supply side reducing components increasing the national pressure on the supply-demand balance. Whilst the magnitude of climate change appears to justify its explicit consideration, it is rare that adaptation options are planned solely in response to climate change but as a suite of options to provide a resilient supply to a range of pressures (including significant demand side pressures). Supply-side measures still tend to be considered by water companies to be more reliable than demand-side measures.

Thin liquid water clouds: their importance and our challenge

Many clouds important to the Earth’s energy balance contain small amounts of liquid water, yet despite many improvements, large differences in retrievals of their liquid water amount and particle size still must be resolved.

Molecular dynamics simulations of proteins: can the explicit water model be varied?

In molecular mechanics simulations of biological systems, the solvation water is typically represented by a default water model which is an integral part of the force field. Indeed, protein nonbonding parameters are chosen in order to obtain a balance between water-water and protein-water interactions and hence a reliable description of protein solvation. However, less attention has been paid to the question of whether the water model provides a reliable description of the water properties under the chosen simulation conditions, for which more accurate water models often exist. Here we consider the case of the CHARMM protein force field, which was parametrized for use with a modified TIP3P model. Using quantum mechanical and molecular mechanical calculations, we investigate whether the CHARMM force field can be used with other water models: TIP4P and TIP5P. Solvation properties of N-methylacetamide (NMA), other small solute molecules, and a small protein are examined. The results indicate differences in binding energies and minimum energy geometries, especially for TIP5P, but the overall description of solvation is found to be similar for all models tested. The results provide an indication that molecular mechanics simulations with the CHARMM force field can be performed with water models other than TIP3P, thus enabling an improved description of the solvent water properties.

The International Urban Energy Balance Models Comparison Project: First Results from Phase 1

A large number of urban surface energy balance models now exist with different assumptions about the important features of the surface and exchange processes that need to be incorporated. To date, no com- parison of these models has been conducted; in contrast, models for natural surfaces have been compared extensively as part of the Project for Intercomparison of Land-surface Parameterization Schemes. Here, the methods and first results from an extensive international comparison of 33 models are presented. The aim of the comparison overall is to understand the complexity required to model energy and water exchanges in urban areas. The degree of complexity included in the models is outlined and impacts on model performance are discussed. During the comparison there have been significant developments in the models with resulting improvements in performance (root-mean-square error falling by up to two-thirds). Evaluation is based on a dataset containing net all-wave radiation, sensible heat, and latent heat flux observations for an industrial area in Vancouver, British Columbia, Canada. The aim of the comparison is twofold: to identify those modeling ap- proaches that minimize the errors in the simulated fluxes of the urban energy balance and to determine the degree of model complexity required for accurate simulations. There is evidence that some classes of models perform better for individual fluxes but no model performs best or worst for all fluxes. In general, the simpler models perform as well as the more complex models based on all statistical measures. Generally the schemes have best overall capability to model net all-wave radiation and least capability to model latent heat flux.

Identifying and quantifying nonconservative energy production/destruction terms in hydrostatic Boussinesq primitive equation models

This paper seeks to illustrate the point that physical inconsistencies between thermodynamics and dynamics usually introduce nonconservative production/destruction terms in the local total energy balance equation in numerical ocean general circulation models (OGCMs). Such terms potentially give rise to undesirable forces and/or diabatic terms in the momentum and thermodynamic equations, respectively, which could explain some of the observed errors in simulated ocean currents and water masses. In this paper, a theoretical framework is developed to provide a practical method to determine such nonconservative terms, which is illustrated in the context of a relatively simple form of the hydrostatic Boussinesq primitive equation used in early versions of OGCMs, for which at least four main potential sources of energy nonconservation are identified; they arise from: (1) the “hanging” kinetic energy dissipation term; (2) assuming potential or conservative temperature to be a conservative quantity; (3) the interaction of the Boussinesq approximation with the parameterizations of turbulent mixing of temperature and salinity; (4) some adiabatic compressibility effects due to the Boussinesq approximation. In practice, OGCMs also possess spurious numerical energy sources and sinks, but they are not explicitly addressed here. Apart from (1), the identified nonconservative energy sources/sinks are not sign definite, allowing for possible widespread cancellation when integrated globally. Locally, however, these terms may be of the same order of magnitude as actual energy conversion terms thought to occur in the oceans. Although the actual impact of these nonconservative energy terms on the overall accuracy and physical realism of the oceans is difficult to ascertain, an important issue is whether they could impact on transient simulations, and on the transition toward different circulation regimes associated with a significant reorganization of the different energy reservoirs. Some possible solutions for improvement are examined. It is thus found that the term (2) can be substantially reduced by at least one order of magnitude by using conservative temperature instead of potential temperature. Using the anelastic approximation, however, which was initially thought as a possible way to greatly improve the accuracy of the energy budget, would only marginally reduce the term (4) with no impact on the terms (1), (2) and (3).

Modelling the propagation of terahertz radiation through a tissue simulating phantom

Terahertz (THz) frequency radiation, 0.1 THz to 20 THz, is being investigated for biomedical imaging applications following the introduction of pulsed THz sources that produce picosecond pulses and function at room temperature. Owing to the broadband nature of the radiation, spectral and temporal information is available from radiation that has interacted with a sample; this information is exploited in the development of biomedical imaging tools and sensors. In this work, models to aid interpretation of broadband THz spectra were developed and evaluated. THz radiation lies on the boundary between regions best considered using a deterministic electromagnetic approach and those better analysed using a stochastic approach incorporating quantum mechanical effects, so two computational models to simulate the propagation of THz radiation in an absorbing medium were compared. The first was a thin film analysis and the second a stochastic Monte Carlo model. The Cole–Cole model was used to predict the variation with frequency of the physical properties of the sample and scattering was neglected. The two models were compared with measurements from a highly absorbing water-based phantom. The Monte Carlo model gave a prediction closer to experiment over 0.1 to 3 THz. Knowledge of the frequency-dependent physical properties, including the scattering characteristics, of the absorbing media is necessary. The thin film model is computationally simple to implement but is restricted by the geometry of the sample it can describe. The Monte Carlo framework, despite being initially more complex, provides greater flexibility to investigate more complicated sample geometries.