Modelling and experimental investigation of small-scale gasification CHP units for enhancing the use of local biowaste.

Small-scale gasification Combined Heat and Power systems, fed by biowaste resources, have the potential to enhance local renewable energy production, reduce carbon emissions and address the challenges of waste disposal. However, there is a lack of understanding on the influence of challenging feedstocks, such as, for example, digestate, poultry litter and municipal solid waste, on the syngas quality and the incidence of the drying stage in the overall process. This paper addresses this gap by analysing and comparing 40 samples of the most common biowaste feedstocks. We developed a stoichiometric-thermodynamic one stage equilibrium model that was experimentally validated and calibrated by laboratory results, with a maximum error of 15% between real and predicted values. Simulation results show that the low heating value of the syngas produced from biowaste resources analysed ranges from 3.1 to 5.4 MJ/Nm3 on a dry basis. Working at the optimal equivalence ratio increases the electricity and thermal output by up to 20%. To achieve a feedstock moisture content of 10%, the drying process may require up to 60% of the heat produced. Furthermore, results show that downdraft gasification based combined heat and power, is a feasible and interesting option to deal with biowaste resources which can potentially avoid the cost, risk and externalities of landfilling while it contributes to the increase of local electricity and heat production from renewable energy sources, both for grid and off-grid applications.

NUFEB: A massively parallel simulator for individual-based modelling of microbial communities.

We present NUFEB (Newcastle University Frontiers in Engineering Biology), a flexible, efficient, and open source software for simulating the 3D dynamics of microbial communities. The tool is based on the Individual-based Modelling (IbM) approach, where microbes are represented as discrete units and their behaviour changes over time due to a variety of processes. This approach allows us to study population behaviours that emerge from the interaction between individuals and their environment. NUFEB is built on top of the classical molecular dynamics simulator LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator), which we extended with IbM features. A wide range of biological, physical and chemical processes are implemented to explicitly model microbial systems, with particular emphasis on biofilms. NUFEB is fully parallelised and allows for the simulation of large numbers of microbes (107 individuals and beyond). The parallelisation is based on a domain decomposition scheme that divides the domain into multiple sub-domains which are distributed to different processors. NUFEB also offers a collection of post-processing routines for the visualisation and analysis of simulation output. In this article, we give an overview of NUFEB's functionalities and implementation details. We provide examples that illustrate the type of microbial systems NUFEB can be used to model and simulate.

Individual Based Model Links Thermodynamics, Chemical Speciation and Environmental Conditions to Microbial Growth.

Individual based Models (IbM) must transition from research tools to engineering tools. To make the transition we must aspire to develop large, three dimensional and physically and biologically credible models. Biological credibility can be promoted by grounding, as far as possible, the biology in thermodynamics. Thermodynamic principles are known to have predictive power in microbial ecology. However, this in turn requires a model that incorporates pH and chemical speciation. Physical credibility implies plausible mechanics and a connection with the wider environment. Here, we propose a step toward that ideal by presenting an individual based model connecting thermodynamics, pH and chemical speciation and environmental conditions to microbial growth for 5·105 individuals. We have showcased the model in two scenarios: a two functional group nitrification model and a three functional group anaerobic community. In the former, pH and connection to the environment had an important effect on the outcomes simulated. Whilst in the latter pH was less important but the spatial arrangements and community productivity (that is, methane production) were highly dependent on thermodynamic and reactor coupling. We conclude that if IbM are to attain their potential as tools to evaluate the emergent properties of engineered biological systems it will be necessary to combine the chemical, physical, mechanical and biological along the lines we have proposed. We have still fallen short of our ideals because we cannot (yet) calculate specific uptake rates and must develop the capacity for longer runs in larger models. However, we believe such advances are attainable. Ideally in a common, fast and modular platform. For future innovations in IbM will only be of use if they can be coupled with all the previous advances.