Hydro-Physical Characterization of Media Used in Agricultural Systems to Develop the Best Management Practices for operation of an Environmentally Sustainable Agricultural Enterprise

Florida is the second leading horticulture state in the United States with a total annual industry sale of over $12 Billion. Due to its competitive nature, agricultural plant production represents an extremely intensive practice with large amounts of water and fertilizer usage. Agrochemical and water management are vital for efficient functioning of any agricultural enterprise, and the subsequent nutrient loading from such agricultural practices has been a concern for environmentalists. A thorough understanding of the agrochemical and the soil amendments used in these agricultural systems is of special interest as contamination of soils can cause surface and groundwater pollution leading to ecosystem toxicity. The presence of fragile ecosystems such as the Everglades, Biscayne Bay and Big Cypress near enterprises that use such agricultural systems makes the whole issue even more imminent. Although significant research has been conducted with soils and soil mix, there is no acceptable method for determining the hydraulic properties of mixtures that have been subjected to organic and inorganic soil amendments. Hydro-physical characterization of such mixtures can facilitate the understanding of water retention and permeation characteristics of the commonly used mix which can further allow modeling of soil water interactions. The objective of this study was to characterize some of the locally and commercially available plant growth mixtures for their hydro-physical properties and develop mathematical models to correlate these acquired basic properties to the hydraulic conductivity of the mixture. The objective was also to model the response patterns of soil amendments present in those mixtures to different water and fertilizer use scenarios using the characterized hydro-physical properties with the help of Everglades-Agro-Hydrology Model. The presence of organic amendments helps the mixtures retain more water while the inorganic amendments tend to adsorb more nutrients due to their high surface area. The results of these types of characterization can provide a scientific basis for understanding the non-point source water pollution from horticulture production systems and assist in the development of the best management practices for the operation of environmentally sustainable agricultural enterprise

Spatial and Functional Organization of Pig Trade in Different European Production Systems: Implications for Disease Prevention and Control

Understanding the complexity of live pig trade organization is a key factor to predict and control major infectious diseases, such as classical swine fever (CSF) or African swine fever (ASF). Whereas the organization of pig trade has been described in several European countries with indoor commercial production systems, little information is available on this organization in other systems, such as outdoor or small-scale systems. The objective of this study was to describe and compare the spatial and functional organization of live pig trade in different European countries and different production systems. Data on premise characteristics and pig movements between premises were collected during 2011 from Bulgaria, France, Italy, and Spain, which swine industry is representative of most of the production systems in Europe (i.e., commercial vs. small-scale and outdoor vs. indoor). Trade communities were identified in each country using the Walktrap algorithm. Several descriptive and network metrics were generated at country and community levels. Pig trade organization showed heterogeneous spatial and functional organization. Trade communities mostly composed of indoor commercial premises were identified in western France, northern Italy, northern Spain, and north-western Bulgaria. They covered large distances, overlapped in space, demonstrated both scale-free and small-world properties, with a role of trade operators and multipliers as key premises. Trade communities involving outdoor commercial premises were identified in western Spain, south-western and central France. They were more spatially clustered, demonstrated scale-free properties, with multipliers as key premises. Small-scale communities involved the majority of premises in Bulgaria and in central and Southern Italy. They were spatially clustered and had scale-free properties, with key premises usually being commercial production premises. These results indicate that a disease might spread very differently according to the production system and that key premises could be targeted to more cost-effectively control diseases. This study provides useful epidemiological information and parameters that could be used to design risk-based surveillance strategies or to more accurately model the risk of introduction or spread of devastating swine diseases, such as ASF, CSF, or foot-and-mouth disease.

Modelling and predictive control techniques for building heating systems

Model predictive control (MPC) has often been referred to in literature as a potential method for more efficient control of building heating systems. Though a significant performance improvement can be achieved with an MPC strategy, the complexity introduced to the commissioning of the system is often prohibitive. Models are required which can capture the thermodynamic properties of the building with sufficient accuracy for meaningful predictions to be made. Furthermore, a large number of tuning weights may need to be determined to achieve a desired performance. For MPC to become a practicable alternative, these issues must be addressed. Acknowledging the impact of the external environment as well as the interaction of occupants on the thermal behaviour of the building, in this work, techniques have been developed for deriving building models from data in which large, unmeasured disturbances are present. A spatio-temporal filtering process was introduced to determine estimates of the disturbances from measured data, which were then incorporated with metaheuristic search techniques to derive high-order simulation models, capable of replicating the thermal dynamics of a building. While a high-order simulation model allowed for control strategies to be analysed and compared, low-order models were required for use within the MPC strategy itself. The disturbance estimation techniques were adapted for use with system-identification methods to derive such models. MPC formulations were then derived to enable a more straightforward commissioning process and implemented in a validated simulation platform. A prioritised-objective strategy was developed which allowed for the tuning parameters typically associated with an MPC cost function to be omitted from the formulation by separation of the conflicting requirements of comfort satisfaction and energy reduction within a lexicographic framework. The improved ability of the formulation to be set-up and reconfigured in faulted conditions was shown.

Experimental and modeling studies of forced convection storage and drying systems for sweet potatoes

Sweet potato is an important strategic agricultural crop grown in many countries around the world. The roots and aerial vine components of the crop are used for both human consumption and, to some extent as a cheap source of animal feed. In spite of its economic value and growing contribution to health and nutrition, harvested sweet potato roots and aerial vine components has limited shelf-life and is easily susceptible to post-harvest losses. Although post-harvest losses of both sweet potato roots and aerial vine components is significant, there is no information available that will support the design and development of appropriate storage and preservation systems. In this context, the present study was initiated to improve scientific knowledge about sweet potato post-harvest handling. Additionally, the study also seeks to develop a PV ventilated mud storehouse for storage of sweet potato roots under tropical conditions. In study one, airflow resistance of sweet potato aerial vine components was investigated. The influence of different operating parameters such as airflow rate, moisture content and bulk depth at different levels on airflow resistance was analyzed. All the operating parameters were observed to have significant (P < 0.01) effect on airflow resistance. Prediction models were developed and were found to adequately describe the experimental pressure drop data. In study two, the resistance of airflow through unwashed and clean sweet potato roots was investigated. The effect of sweet potato roots shape factor, surface roughness, orientation to airflow, and presence of soil fraction on airflow resistance was also assessed. The pressure drop through unwashed and clean sweet potato roots was observed to increase with higher airflow, bed depth, root grade composition, and presence of soil fraction. The physical properties of the roots were incorporated into a modified Ergun model and compared with a modified Shedd’s model. The modified Ergun model provided the best fit to the experimental data when compared with the modified Shedd’s model. In study three, the effect of sweet potato root size (medium and large), different air velocity and temperature on the cooling/or heating rate and time of individual sweet potato roots were investigated. Also, a simulation model which is based on the fundamental solution of the transient equations was proposed for estimating the cooling and heating time at the centre of sweet potato roots. The results showed that increasing air velocity during cooling and heating significantly (P < 0.05) affects the cooling and heating times. Furthermore, the cooling and heating times were significantly different (P < 0.05) among medium and large size sweet potato roots. Comparison of the simulation results with experimental data confirmed that the transient simulation model can be used to accurately estimate the cooling and heating times of whole sweet potato roots under forced convection conditions. In study four, the performance of charcoal evaporative cooling pad configurations for integration into sweet potato roots storage systems was investigated. The experiments were carried out at different levels of air velocity, water flow rates, and three pad configurations: single layer pad (SLP), double layers pad (DLP) and triple layers pad (TLP) made out of small and large size charcoal particles. The results showed that higher air velocity has tremendous effect on pressure drop. Increasing the water flow rate above the range tested had no practical benefits in terms of cooling. It was observed that DLP and TLD configurations with larger wet surface area for both types of pads provided high cooling efficiencies. In study five, CFD technique in the ANSYS Fluent software was used to simulate airflow distribution in a low-cost mud storehouse. By theoretically investigating different geometries of air inlet, plenum chamber, and outlet as well as its placement using ANSYS Fluent software, an acceptable geometry with uniform air distribution was selected and constructed. Experimental measurements validated the selected design. In study six, the performance of the developed PV ventilated system was investigated. Field measurements showed satisfactory results of the directly coupled PV ventilated system. Furthermore, the option of integrating a low-cost evaporative cooling system into the mud storage structure was also investigated. The results showed a reduction of ambient temperature inside the mud storehouse while relative humidity was enhanced. The ability of the developed storage system to provide and maintain airflow, temperature and relative humidity which are the key parameters for shelf-life extension of sweet potato roots highlight its ability to reduce post-harvest losses at the farmer level, particularly under tropical climate conditions.

Throughfall and soil properties in shaded and unshaded coffee plantations and a secondary forest: a case study from Southern Colombia

In Colombia coffee production is facing risks due to an increase in the variability and amount of rainfall, which may alter hydrological cycles and negatively influence yield quality and quantity. Shade trees in coffee plantations, however, are known to produce ecological benefits, such as intercepting rainfall and lowering its velocity, resulting in a reduced net-rainfall and higher water infiltration. In this case study, we measured throughfall and soil hydrological properties in four land use systems in Cauca, Colombia, that differed in stand structural parameters: shaded coffee, unshaded coffee, secondary forest and pasture. We found that throughfall was rather influenced by stand structural characteristics than by rainfall intensity. Lower throughfall was recorded in the shaded coffee compared to the other systems when rain gauges were placed at a distance of 1.0 m to the shade tree. The variability of throughfall was high in the shaded coffee, which was due to different canopy characteristics and irregular arrangements of shade tree species. Shaded coffee and secondary forest resembled each other in soil structural parameters, with an increase in saturated hydraulic conductivity and microporosity, whereas bulk density and macroporosity decreased, compared to the unshaded coffee and pasture. In this context tree-covered systems indicate a stronger resilience towards changing rainfall patterns, especially in mountainous areas where coffee is cultivated.

Land use change from rainforests to oil palm plantations and food gardens in Papua New Guinea: Effects on soil properties and S fractions

Changes in soil sulfur (S) fractions were assessed in oil palm and food garden land use systems developed on forest vegetation in humid tropical areas of Popondetta in northern Province. The study tested a hypothesis that S in food gardens are limiting nutrient factor and are significantly lower than in plantations and forests. Subsistence food gardens are under long-term slash and burn practice of cropping and such practice is expected to accelerate loss of biomass S from the ecosystem. From each land use, surface soil (0–15 cm) samples were characterised and further pseudocomplete fractionated for S. Conversion of forest to oil palm production decreased (p<0.001) soil pH and electrical conductivity values. The reserve S fraction in soil increased significantly (p<0.05) due to oil palm production ( 28 %) and food gardening activity (∼ 54 %). However, plant available SO42--S was below 15 mg kg^(−1) in the food garden soils and foliar samples of sweet potato crop indicating deficiency of plant available S. Soil organic carbon content (OC) was positively and significantly correlated to total S content (r=0.533; p<0.001) among the land use systems. Thus, crop management practices that affect OC status of the soils would potentially affect the S availability in soils. The possible changes in the chemical nature of mineralisable organic S compounds leading to enhanced mineralisation and leaching losses could be the reasons for the deficiency of S in the food garden soils. The results of this study conclude that long-term subsistence food gardening activity enriched top soils with reserve S or total S content at the expense of soluble S fraction. The subsistence cropping practices such as biomass burning in food gardens and reduced fallow periods are apparently threatening food security of oil palm households. Improved soil OC management strategies such as avoiding burning of fallow vegetation, improved fallows, mulching with fallow biomass, use of manures and S containing fertilisers must be promoted to sustain food security in smallholder oil palm system.

Physicochemical complexity in complex chemical systems

Self-replication and compartmentalization are two central properties thought to be essential for minimal life, and understanding how such processes interact in the emergence of complex reaction networks is crucial to exploring the development of complexity in chemistry and biology. Autocatalysis can emerge from multiple different mechanisms such as formation of an initiator, template self-replication and physical autocatalysis (where micelles formed from the reaction product solubilize the reactants, leading to higher local concentrations and therefore higher rates). Amphiphiles are also used in artificial life studies to create protocell models such as micelles, vesicles and oil-in-water droplets, and can increase reaction rates by encapsulation of reactants. So far, no template self-replicator exists which is capable of compartmentalization, or transferring this molecular scale phenomenon to micro or macro-scale assemblies. Here a system is demonstrated where an amphiphilic imine catalyses its own formation by joining a non-polar alkyl tail group with a polar carboxylic acid head group to form a template, which was shown to form reverse micelles by Dynamic Light Scattering (DLS). The kinetics of this system were investigated by 1H NMR spectroscopy, showing clearly that a template self-replication mechanism operates, though there was no evidence that the reverse micelles participated in physical autocatalysis. Active oil droplets, composed from a mixture of insoluble organic compounds in an aqueous sub-phase, can undergo processes such as division, self-propulsion and chemotaxis, and are studied as models for minimal cells, or protocells. Although in most cases the Marangoni effect is responsible for the forces on the droplet, the behaviour of the droplet depends heavily on the exact composition. Though theoretical models are able to calculate the forces on a droplet, to model a mixture of oils on an aqueous surface where compounds from the oil phase are dissolving and diffusing through the aqueous phase is beyond current computational capability. The behaviour of a droplet in an aqueous phase can only be discovered through experiment, though it is determined by the droplet's composition. By using an evolutionary algorithm and a liquid handling robot to conduct droplet experiments and decide which compositions to test next, entirely autonomously, the composition of the droplet becomes a chemical genome capable of evolution. The selection is carried out according to a fitness function, which ranks the formulation based on how well it conforms to the chosen fitness criteria (e.g. movement or division). Over successive generations, significant increases in fitness are achieved, and this increase is higher with more components (i.e. greater complexity). Other chemical processes such as chemiluminescence and gelation were investigated in active oil droplets, demonstrating the possibility of controlling chemical reactions by selective droplet fusion. Potential future applications for this might include combinatorial chemistry, or additional fitness goals for the genetic algorithm. Combining the self-replication and the droplet protocells research, it was demonstrated that the presence of the amphiphilic replicator lowers the interfacial tension between droplets of a reaction mixture in organic solution and the alkaline aqueous phase, causing them to divide. Periodic sampling by a liquid handling robot revealed that the extent of droplet fission increased as the reaction progressed, producing more individual protocells with increased self-replication. This demonstrates coupling of the molecular scale phenomenon of template self-replication to a macroscale physicochemical effect.

Effect of landfill leachate on cereal nutrition and productivity and on soil properties.

Landfill leachates carry nutrients, especially N and K, which can be recycled in cropping systems. We applied doses of landfill leachate (0 [Control], 32.7, 65.4, 98.1, and 130.8 m3 ha-1 ) three times in 2008 and three times in 2009 on a clay Rhodic Kandiudult soil. In 2009, black oat (Avena strigosa L.) and corn (Zea mays L.) were cropped in succession and assessed for concentration of nutrients in leaves and for shoot biomass and grain yield, respectively. As a positive control, an additional treatment with urea (120 kg ha-1 of N) was studied in corn. Soil was sampled at four depths (down to 60 cm) in three sampling dates to assess chemical and biochemical properties. Concentration of nutrients in leaves, oat biomass (8530?23,240 kg ha-1), and corn grain yield (4703-8807 kg ha-1 ) increased with increasing doses of leachate. There was a transient increase in the concentration of nitrate in soil (3-30 mg kg-1), increasing the risk of N losses by leaching at doses above 120 kg ha-1 N, as revealed by an estimated N balance in the cropping system. Sodium and K in soil also increased with increasing doses of leachate but decreased as rainfall occurred. The activity of dehydrogenase decreased about 30% from the control to the highest dose of leachate and urea, suggesting an inhibitory effect of mineral N on microbial metabolism. Landfill leachate was promising as a source of N and K for crop productivity and caused minor or transient effects on soil properties.

Physical soil attributes of Conilon coffee (Coffea canephora) under organic and conventional management systems.

Coffea sp. is cultivated in large areas, using both conventional and organic management. However, information about the sustainability of these two management systems is still deficient. The objective of the present study was to evaluate the physical properties of soil cultivated with Conilon coffee (C. canephora) under organic and conventional management. Two areas cultivated with Conilon coffee (under organic and conventional management) and a fragment of Atlantic forest, used as a reference, were selected for the experiment. Soil granulometry, hydraulic conductivity, water retention curve, resistance to penetration, porosity, optimal hydric interval, and other physical characteristics were measured at depths of 0 to 10 and 10 to 20 cm. The data was submitted to multivariate and descriptive statistical analyses. Higher similarity was observed between the soil cultivated with Conilon coffee under organic management and the Atlantic forest soil. Soil resistance to penetration at 10, 30, 100, 500 and 1500 kPa, macro porosity, density and total porosity were the main physical properties that differentiated both management systems studied. The non-use of agricultural machinery and the addition of organic matter may be the main reasons for higher soil sustainability observed under organic management when compared with the conventional system.

Computing the structural and vibrational properties of polymorphic organic molecular crystals through van der Waals corrected density functional theory and the electronic properties of organic thin films through microelectrostatic calculations.

The present Thesis reports on the various research projects to which I have contributed during my PhD period, working with several research groups, and whose results have been communicated in a number of scientific publications. The main focus of my research activity was to learn, test, exploit and extend the recently developed vdW-DFT (van der Waals corrected Density Functional Theory) methods for computing the structural, vibrational and electronic properties of ordered molecular crystals from first principles. A secondary, and more recent, research activity has been the analysis with microelectrostatic methods of Molecular Dynamics (MD) simulations of disordered molecular systems. While only very unreliable methods based on empirical models were practically usable until a few years ago, accurate calculations of the crystal energy are now possible, thanks to very fast modern computers and to the excellent performance of the best vdW-DFT methods. Accurate energies are particularly important for describing organic molecular solids, since they often exhibit several alternative crystal structures (polymorphs), with very different packing arrangements but very small energy differences. Standard DFT methods do not describe the long-range electron correlations which give rise to the vdW interactions. Although weak, these interactions are extremely sensitive to the packing arrangement, and neglecting them used to be a problem. The calculations of reliable crystal structures and vibrational frequencies has been made possible only recently, thanks to development of some good representations of the vdW contribution to the energy (known as “vdW corrections”).