Spatial power profiling method using visual information in reactors with optically transparent coolants
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Paper sludge biomass represents an underutilized feedstock rich in pulped and processed cellulose which is currently a waste stream with significant disposal cost to industry for landfilling services. Effective fractionation of the cellulose from paper sludge presents an opportunity to yield cellulose as feedstock for value-added processes. A novel approach to cellulose fractionation is the sidehill screening system, herein studied at the pilot-plant scale. Composition analysis determined ash removal and carbohydrate retention of both sidehill and high-performance benchtop screening systems. Sidehill screening resulted in greater carbohydrates retention relative to benchtop screening (90% vs 66%) and similar ash removal (95% vs 98%). Techno-economic analysis for production of sugar syrup yielded a minimum selling price of $331/metric ton of sugar syrup including disposal savings, significantly less than a commercial sugar syrup without fractionation. Furthermore, sensitivity analysis showed that screening conditions played a significant role in economic feasibility for cellulosic yield and downstream processes.
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The propensity of a surface to nucleate ice or bind to ice is governed by its ice-philicity─its relative preference for ice over liquid water. However, the relationship between the features of a surface and its ice-philicity is not well understood, and for surfaces with chemical or topographical heterogeneity, such as proteins, their ice-philicity is not even well-defined. In the analogous problem of surface hydrophobicity, it has been shown that hydrophobic surfaces display enhanced low water-density (vapor-like) fluctuations in their vicinity. To interrogate whether enhanced ice-like fluctuations are similarly observed near ice-philic surfaces, here we use molecular simulations and enhanced sampling techniques. Using a family of model surfaces for which the wetting coefficient, k , has previously been characterized, we show that the free energy of observing rare interfacial ice-density fluctuations decreases monotonically with increasing k . By utilizing this connection, we investigate a set of fcc systems and find that the (110) surface is more ice-philic than the (111) or (100) surfaces. By additionally analyzing the structure of interfacial ice, we find that all surfaces prefer to bind to the basal plane of ice, and the topographical complementarity of the (110) surface to the basal plane explains its higher ice-philicity. Using enhanced interfacial ice-like fluctuations as a measure of surface ice-philicity, we then characterize the ice-philicity of chemically heterogeneous and topologically complex systems. In particular, we study the spruce budworm antifreeze protein (sbwAFP), which binds to ice using a known ice-binding site (IBS) and resists engulfment using nonbinding sites of the protein (NBSs). We find that the IBS displays enhanced interfacial ice-density fluctuations and is therefore more ice-philic than the two NBSs studied. We also find the two NBSs are similarly ice-phobic. By establishing a connection between interfacial ice-like fluctuations and surface ice-philicity, our findings thus provide a way to characterize the ice-philicity of heterogeneous surfaces.
Batteries are an enabling technology for addressing sustainability through the electrification of various forms of transportation (1) and grid storage. (2) Batteries are truly multi-scale, multi-physics devices, and accordingly various theoretical descriptions exist to understand their behavior (3-5) ranging from atomistic details to techno-economic trends. As we explore advanced battery chemistries (6,7) or previously inaccessible aspects of existing ones, (8-10) new theories are required to drive decisions. (11-13) The decisions are influenced by the limitations of the underlying theory. Advanced theories used to understand battery phenomena are complicated and require substantial effort to reproduce. However, such constraints should not limit the insights from these theories. We can strive to make the theoretical research verifiable such that any battery stakeholder can assess the veracity of new theories, sophisticated simulations or elaborate analyses. We distinguish verifiability, which amounts to “Can I trust the results, conclusions and insights and identify the context where they are relevant?”, from reproducibility, which ensures “Would I get the same results if I followed the same steps?” With this motivation, we propose a checklist to guide future reports of theoretical battery research in Table 1. We hereafter discuss our thoughts leading to this and how it helps to consistently document necessary details while allowing complete freedom for creativity of individual researchers. Given the differences between experimental and theoretical studies, the proposed checklist differs from its experimental counterparts. (14,15) This checklist covers all flavors of theoretical battery research, ranging from atomic/molecular calculations (16-19) to mesoscale (20,21) and continuum-scale interactions, (9,22) and techno-economic analysis. (23,24) Finally, as more and more experimental studies analyze raw data, (25) we feel this checklist would be broadly relevant.
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The overall objective of the project was to develop a computationally feasible and user-friendly mechanized process to integrate traditional probabilistic risk assessment (PRA) and dynamic PRA (DPRA) results. Starting with the systematic identification of items in an existing PRA that need dynamic augmentation, the project used a generic 4-loop pressurized reactor (PWR) and 3-loop PWR as example plants. Station blackout (SBO) and large break loss of coolant accident SBLOCA) were selected as the example initiating events. Using the traditional event-tree (ET)/fault-tree (FT) methodology augmented by dynamic evet tree approach, the potential consequences of the initiating events were simulated with RELAP-3D and MELCOR/RASCAL codes to cover Level 1 through Level 3 of PRA. RAVEN and ADAPT software were used to generate Level 1 simulations with RELAP-3D and Level 2/3 simulations with MELCOR (Level 2)/RASCAL (Level 3), respectively. Example branching conditions (BCs) for SBO included AC power recovery time, valve repair failure time, reactor coolant pump leak time/break size and emergency power supply duration to a total of 9. Example BCs for LOCA included off-site power recovery time, diesel generator power recovery time, auxiliary feed water system operation time, safety relief valve failure to open upon demand, reactor coolant pump seal break time and size to a total of 21. Each RELAP-3D simulation (9,587 scenarios) was labelled OK or Core Damage based on the maximum allowed peak clad temperature (2,100oF). Each MELCOR simulation (4610 scenarios) was labeled as Bin over 10rem or Bin 0-10rem based on the dose at the site boundary. The scenarios were clustered based on the criteria above using the mean shift methodology. Classical PRA (CPRA) and DPRA results were compared to identify the ET sequences that need DPRA augmentation. Several approaches were proposed for the incorporation of these sequences into CPRA using clustering with the mean shift methodology, restructuring the CPRA ETs by adding new BCs/sequences, and using the concept of a limit surface. Procedures for decision making regarding the possible consequences of an initiating event (e.g. core damage or not, site evacuation or not) were developed using a convolutional neural network (CNN), a recurrent neural network (RNN) and a transformer neural network (TNN). The project has led to two PhD degrees, three archival journal papers and five refereed conference proceedings.
Urban areas and the supply networks that support their resource use are inherently multisectoral systems composed of infrastructural, environmental, and socio-institutional components. These systems are vulnerable to accelerating and interacting stresses from climate change, population growth, resource scarcity, and land-use pressure at the same time as they have a major influence on regional and global systems. For instance, a majority of the world’s greenhouse gas emissions, food consumption, and economic activity can be attributed to urban areas. Urban areas are highly heterogenous, both across and within cities in terms of their socio-demographic, environmental, and infrastructural characteristics. This heterogeneity shapes how urban systems interact and co-evolve and contributes to different economic, environmental, and health outcomes for communities within urban areas. Urban heterogeneity also generates differential vulnerabilities to stressors and differential capacity for adapting to change. The evolution of urban space is thus critical in shaping how human societies respond to global change as they seek to improve resilience to stressors, support prosperous and equitable communities, and use natural resources in a sustainable manner. Developing fundamental scientific understanding of urban heterogeneity and system interactions across sectors and scales is critical for mapping the resilience, sustainability, and equity implications of alternative future pathways. On July 2021 the MSD Urban Systems Working Group organized this workshop to provide a venue for coordination and identification of shared objectives, research themes, and major knowledge gaps, as well as developing a shared strategy for addressing these gaps. This report summarizes the outcomes of this workshop.