Numerical Study of Single Coal Particle Combustion in O2/N2 and O2/CO2 Atmospheres

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Thermal effects on geologic carbon storage

The final publication is available at Springer via http://dx.doi.org/10.1016/j.earscirev.2016.12.011One of the most promising ways to significantly reduce greenhouse gases emissions, while carbon-free energy sources are developed, is Carbon Capture and Storage (CCS). Non-isothermal effects play a major role in all stages of CCS. In this paper, we review the literature on thermal effects related to CCS, which is receiving an increasing interest as a result of the awareness that the comprehension of non-isothermal processes is crucial for a successful deployment of CCS projects. We start by reviewing CO2 transport, which connects the regions where CO2 is captured with suitable geostorage sites. The optimal conditions for CO2 transport, both onshore (through pipelines) and offshore (through pipelines or ships), are such that CO2 stays in liquid state. To minimize costs, CO2 should ideally be injected at the wellhead in similar pressure and temperature conditions as it is delivered by transport. To optimize the injection conditions, coupled wellbore and reservoir simulators that solve the strongly non-linear problem of CO2 pressure, temperature and density within the wellbore and non-isothermal two-phase flow within the storage formation have been developed. CO2 in its way down the injection well heats up due to compression and friction at a lower rate than the geothermal gradient, and thus, reaches the storage formation at a lower temperature than that of the rock. Inside the storage formation, CO2 injection induces temperature changes due to the advection of the cool injected CO2, the Joule-Thomson cooling effect, endothermic water vaporization and exothermic CO2 dissolution. These thermal effects lead to thermo-hydro-mechanical-chemical coupled processes with non-trivial interpretations. These coupled processes also play a relevant role in “Utilization” options that may provide an added value to the injected CO2, such as Enhanced Oil Recovery (EOR), Enhanced Coal Bed Methane (ECBM) and geothermal energy extraction combined with CO2 storage. If the injected CO2 leaks through faults, the caprock or wellbores, strong cooling will occur due to the expansion of CO2 as pressure decreases with depth. Finally, we conclude by identifying research gaps and challenges of thermal effects related to CCS.Peer ReviewedPostprint (author's final draft

Enhancing Energy Production with Exascale HPC Methods

High Performance Computing (HPC) resources have become the key actor for achieving more ambitious challenges in many disciplines. In this step beyond, an explosion on the available parallelism and the use of special purpose processors are crucial. With such a goal, the HPC4E project applies new exascale HPC techniques to energy industry simulations, customizing them if necessary, and going beyond the state-of-the-art in the required HPC exascale simulations for different energy sources. In this paper, a general overview of these methods is presented as well as some specific preliminary results.The research leading to these results has received funding from the European Union's Horizon 2020 Programme (2014-2020) under the HPC4E Project (www.hpc4e.eu), grant agreement n° 689772, the Spanish Ministry of Economy and Competitiveness under the CODEC2 project (TIN2015-63562-R), and from the Brazilian Ministry of Science, Technology and Innovation through Rede Nacional de Pesquisa (RNP). Computer time on Endeavour cluster is provided by the Intel Corporation, which enabled us to obtain the presented experimental results in uncertainty quantification in seismic imagingPostprint (author's final draft

Soil Nitrogen: research and extension

These are the proceedings of the 4th QLIF workshiop with contributions of several European soil and nitrogen researchers

Frequency Restoration Reserve Control Scheme with Participation of Industrial Loads

In order to accommodate larger amounts of renewable energy resources, whose power output is inherently unpredictable, there is an increasing need for frequency control power reserves. Loads are already used to provide replacement reserves, i.e. the slowest kind of reserves, in several power systems. This paper proposes a control scheme for frequency restoration reserves with participation of industrial loads. Frequency restoration reserves are required to change their active power within a time frame of tens of seconds to tens of minutes in response to a regulation signal. Industrial loads in many cases already have the capacity and capability to participate in this service. A mapping of their process constraints to power and energy demand is proposed in order to integrate industrial loads in existing control schemes. The proposed control scheme has been implemented in a 74-bus test system. Dynamic simulations show that industrial loads can be successfully integrated into the power system as frequency restoration reserves. © 2013 IEEE

Marshall Space Flight Center Research and Technology Report 2019

Today, our calling to explore is greater than ever before, and here at Marshall Space Flight Centerwe make human deep space exploration possible. A key goal for Artemis is demonstrating and perfecting capabilities on the Moon for technologies needed for humans to get to Mars. This years report features 10 of the Agencys 16 Technology Areas, and I am proud of Marshalls role in creating solutions for so many of these daunting technical challenges. Many of these projects will lead to sustainable in-space architecture for human space exploration that will allow us to travel to the Moon, on to Mars, and beyond. Others are developing new scientific instruments capable of providing an unprecedented glimpse into our universe. NASA has led the charge in space exploration for more than six decades, and through the Artemis program we will help build on our work in low Earth orbit and pave the way to the Moon and Mars. At Marshall, we leverage the skills and interest of the international community to conduct scientific research, develop and demonstrate technology, and train international crews to operate further from Earth for longer periods of time than ever before first at the lunar surface, then on to our next giant leap, human exploration of Mars. While each project in this report seeks to advance new technology and challenge conventions, it is important to recognize the diversity of activities and people supporting our mission. This report not only showcases the Centers capabilities and our partnerships, it also highlights the progress our people have achieved in the past year. These scientists, researchers and innovators are why Marshall and NASA will continue to be a leader in innovation, exploration, and discovery for years to come

The Individual and Collective Effects of Exact Exchange and Dispersion Interactions on the Ab Initio Structure of Liquid Water

In this work, we report the results of a series of density functional theory (DFT) based ab initio molecular dynamics (AIMD) simulations of ambient liquid water using a hierarchy of exchange-correlation (XC) functionals to investigate the individual and collective effects of exact exchange (Exx), via the PBE0 hybrid functional, non-local vdW/dispersion interactions, via a fully self-consistent density-dependent dispersion correction, and approximate nuclear quantum effects (aNQE), via a 30 K increase in the simulation temperature, on the microscopic structure of liquid water. Based on these AIMD simulations, we found that the collective inclusion of Exx, vdW, and aNQE as resulting from a large-scale AIMD simulation of (H$_2$O)$_{128}$ at the PBE0+vdW level of theory, significantly softens the structure of ambient liquid water and yields an oxygen-oxygen structure factor, $S_{\rm OO}(Q)$, and corresponding oxygen-oxygen radial distribution function, $g_{\rm OO}(r)$, that are now in quantitative agreement with the best available experimental data. This level of agreement between simulation and experiment as demonstrated herein originates from an increase in the relative population of water molecules in the interstitial region between the first and second coordination shells, a collective reorganization in the liquid phase which is facilitated by a weakening of the hydrogen bond strength by the use of the PBE0 hybrid XC functional, coupled with a relative stabilization of the resultant disordered liquid water configurations by the inclusion of non-local vdW/dispersion interactions