Results for “Projection scheme” — Page 27

DOE OSTI2018

Lab-scale Development of a Hybrid Capture System with Advanced Membrane, Solvent system, and Process Integration

The objective of the project is to achieve lab-scale demonstration of a transformational hybrid membrane/solvent system for the capture of CO 2 from flue gas. A novel process integration scheme was proposed to overcome the low partial pressure of CO 2 present in flue gas. This scheme takes advantage of the potential synergies inherent in the membrane and solvent capture systems. The proposed hybrid technology replaces the second-stage membrane with a solvent capture process. The combustion air is used as a sweeping gas in the solvent stripper. This overall configuration has the major advantages of requiring much less air and eliminating the problems associated with oxygen slip in the membrane-based systems. Even more importantly, because of the presence of the air sweep in the stripper, much lower temperatures are required for solvent regeneration, which enables heat integration to the point that no process steam is required. This project was to perform lab-scale demonstration of Liquid Ion Solutions (LIS) transformational hybrid membrane/solvent system for post-combustion CO 2 capture while demonstrating significant progress toward achievement of the overall fossil energy performance goals of 90% CO 2 capture rate with 95% CO 2 purity at a cost of electricity 30% less than baseline capture approaches. This report is written chronologically based on budget periods. Each budget period discusses the work performed and its results. At the end of each budget period the milestone charts are provided to show the progress. This project was not able to meet its stated goals. The performances of the power plant equipped with the hybrid process and Baseline Case B12B were compared. The simulation results showed that the power plant equipped with hybrid CO2 capture process has an improved thermal efficiency of 33.4% compared to the Baseline Case B12B, which is 32.5%. However, the COE for the hybrid process is $146.3/MWh which is higher than the $142.8/MWh for Case B12B. If this process were to be applied as a retrofit, it may make sense to use this configuration as it does not require any change in an existing plant configuration and steam cycle. However, for a new powerplant the capital cost is higher than the Case B12B. On the membrane development side, we successfully showed that interfacially-controlled envelope (ICE) membranes work. The inclusion of surface modified nano-particles results in much higher gas diffusivities. The Gen-1 ICE membrane developed under this project showed exceptional improved permeability for CO 2 . However, we ran into major problems which were associated with the scalability and reproducibility of the poly(phosphozene) polymers. The issues with scale-up are and batch to batch variability is also discussed. At the end of this report we have provided our recommendations on materials development for better membrane materials and alluded to the use of much simpler chemistry while keeping the concept of ICE membrane intact. It is also clear that vacuum and compression equipment is costly. If a process which can eliminate the use of vacuum and compression equipment would significantly decrease the overall cost of capture. Some thoughts regarding such system is also provided in the outlook portion of this report.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2018

Shallow Cumulus in WRF Parameterizations Evaluated against LASSO Large-Eddy Simulations

Abstract Representation of shallow cumulus is a challenge for mesoscale numerical weather prediction models. These cloud fields have important effects on temperature, solar irradiance, convective initiation, and pollutant transport, among other processes. Recent improvements to physics schemes available in the Weather Research and Forecasting (WRF) Model aim to improve representation of shallow cumulus, in particular over land. The DOE LES ARM Symbiotic Simulation and Observation Workflow (LASSO) project provides several cases that we use here to test the new physics improvements. The LASSO cases use multiple large-scale forcings to drive large-eddy simulations (LES), and the LES output is easily compared to output from WRF single-column simulations driven with the same initial conditions and forcings. The new Mellor–Yamada–Nakanishi–Niino (MYNN) eddy diffusivity mass-flux (EDMF) boundary layer and shallow cloud scheme produces clouds with timing, liquid water path (LWP), and cloud fraction that agree well with LES over a wide range of those variables. Here we examine those variables and test the scheme’s sensitivity to perturbations of a few key parameters. We also discuss the challenges and uncertainties of single-column tests. The older, simpler total energy mass-flux (TEMF) scheme is included for comparison, and its tuning is improved. This is the first published use of the LASSO cases for parameterization development, and the first published study to use such a large number of cases with varying cloud amount. This is also the first study to use a more precise combined infrared and microwave retrieval of LWP to evaluate modeled clouds.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

A Novel Partitioned Approach for Reduced Order Model—Finite Element Model (ROM-FEM) and ROM-ROM Coupling

Partitioned methods allow one to build a simulation capability for coupled problems by reusing existing single-component codes. In so doing, partitioned methods can shorten code development and validation times for multiphysics and multiscale applications. In this work, we consider a scenario in which one or more of the “codes” being coupled are projection-based reduced order models (ROMs), introduced to lower the computational cost associated with a particular component. We simulate this scenario by considering a model interface problem that is discretized independently on two non-overlapping subdomains. Here we then formulate a partitioned scheme for this problem that allows the coupling between a ROM “code” for one of the subdomains with a finite element model (FEM) or ROM “code” for the other subdomain. The ROM “codes” are constructed by performing proper orthogonal decomposition (POD) on a snapshot ensemble to obtain a low-dimensional reduced order basis, followed by a Galerkin projection onto this basis. The ROM and/or FEM “codes” on each subdomain are then coupled using a Lagrange multiplier representing the interface flux. To partition the resulting monolithic problem, we first eliminate the flux through a dual Schur complement. Application of an explicit time integration scheme to the transformed monolithic problem decouples the subdomain equations, allowing their independent solution for the next time step. We show numerical results that demonstrate the proposed method’s efficacy in achieving both ROM-FEM and ROM-ROM coupling.

de Castro, Amy↗

NASA NTRS1986

Using Ada to implement the operations management system in a community of experts

An architecture is described for the Space Station Operations Management System (OMS), consisting of a distributed expert system framework implemented in Ada. The motivation for such a scheme is based on the desire to integrate the very diverse elements of the OMS while taking maximum advantage of knowledge based systems technology. Part of the foundation of an Ada based distributed expert system was accomplished in the form of a proof of concept prototype for the KNOMES project (Knowledge-based Maintenance Expert System). This prototype successfully used concurrently active experts to accomplish monitoring and diagnosis for the Remote Manipulator System. The basic concept of this software architecture is named ACTORS for Ada Cognitive Task ORganization Scheme. It is when one considers the overall problem of integrating all of the OMS elements into a cooperative system that the AI solution stands out. By utilizing a distributed knowledge based system as the framework for OMS, it is possible to integrate those components which need to share information in an intelligent manner.

Frank, M. S.↗

DOE OSTI2019

Advancing Understanding of Fission Gas Behavior in Nuclear Fuel through Leadership Class Computing

This report describes the outcome of the pilot SciDAC project jointly funded by the DOE Office of Nuclear Energy and the DOE Office of Science, Advanced Scientific Computing Research to advance understanding of fission gas behavior in nuclear fuel. The computational approach involved utilizing both a bottom up and top down multiscale materials modeling to evaluate the processes of xenon fission gas diffusion, xenon clustering and precipitation and the mechanisms of fission gas resolution by energetic fission fragments in uranium dioxide nuclear fuel. The computer science and applied mathematics research activities were focused on optimizing the uranium – oxygen – xenon interatomic potential implementation in the LAMMPS molecular dynamics code for large-scale simulations of fission gas resolution, in addition to improvements in visualization of accelerated molecular dynamics simulations and performance optimization of the Xolotl continuum cluster dynamics with a new grouping scheme to reduce the computational cost of modeling very large fission gas bubbles containing more than 10,000 xenon atoms. The most impactful result from this project stems from a systematic series of atomistic molecular dynamics to evaluate fission gas resolution from xenon bubbles that, combined with the fission product yields and consideration of electron-phonon coupling, informed a first principles model that predicts the magnitude of fission gas resolution in good agreement with empirical estimates.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Hotspots of uncertainty in land-use and land-cover change projections: A global-scale model comparison

Model-based global projections of future land use and land cover (LULC) change are frequently used in environmental assessments to study the impact of LULC change on environmental services and to provide decision support for policy. These projections are characterized by a high uncertainty in terms of quantity and allocation of projected changes, which can severely impact the results of environmental assessments. In this study, we identify hotspots of uncertainty, based on 43 simulations from 11 global-scale LULC change models representing a wide range of assumptions of future biophysical and socio-economic conditions. We attribute components of uncertainty to input data, model structure, scenario storyline and a residual term, based on a regression analysis and analysis of variance. From this diverse set of models and scenarios we find that the uncertainty varies, depending on the region and the LULC type under consideration. Hotspots of uncertainty appear mainly at the edges of globally important biomes (e.g. boreal and tropical forests). Our results indicate that an important source of uncertainty in forest and pasture areas originates from different input data applied in the models. Cropland, in contrast, is more consistent among the starting conditions, while variation in the projections gradually increases over time due to diverse scenario assumptions and different modeling approaches. Comparisons at the grid cell level indicate that disagreement is mainly related to LULC type definitions and the individual model allocation schemes. We conclude that improving the quality and consistency of observational data utilized in the modeling process as well as improving the allocation mechanisms of LULC change models remain important challenges. Furthermore, current LULC representation in environmental assessments might miss the uncertainty arising from the diversity of LULC change modeling approaches and many studies ignore the uncertainty in LULC projections in assessments of LULC change impacts on climate, water resources or biodiversity.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Spatiotemporally dynamic implicit large eddy simulation using machine learning classifiers

In this article, we utilize machine learning to dynamically determine if a point on the computational grid requires implicit numerical dissipation for large eddy simulation (LES). The decision making process is learnt through a priori training on quantities derived from direct numerical simulation (DNS) data. In particular, we compute eddy-viscosities obtained through the coarse-graining of DNS quantities and utilize their projection onto a Gaussian distribution to categorize areas that may require dissipation. If our learning determines that closure is necessary, an upwinded scheme is utilized for computing the non-linear Jacobian. In contrast, if it is determined that closure is unnecessary, a symmetric and second-order accurate energy and enstrophy preserving Arakawa scheme is utilized instead. This results in a closure framework that precludes the specification of any model-form for the small scale contributions of turbulence but deploys an appropriate numerical dissipation from explicit closure driven hypotheses. Here, this methodology is deployed for the Kraichnan turbulence test-case and assessed through various statistical quantities such as angle-averaged kinetic energy spectra and vorticity structure functions. Our framework thus establishes a link between the use of explicit LES ideologies for closure and numerical dissipation-based modeling of turbulence leading to improved statistical fidelity of a posteriori simulations.

42 ENGINEERING↗

DOE OSTI2026

Baseline vs. DER Scenario

Projections and associated uncertainty estimates are generated for a variety of user-selectable EV charging sessions, electricity tariffs, subsidy levels, revenue schemes, charging station configurations, and on-site solar and/or storage options. The outputs are presented in CHIP's web portal browser in the form of easily interpretable graphics (interactive graphs and bar charts) that facilitate convenient comparison among different scenarios to aid decision-making. The user should bring assumptions for modeling on simulation planning horizon, number of EV charging sessions per year, electricity costs (energy and demand charge rates; flat versus time-of-use rate), site capital costs (equipment for EV chargers and transformer), solar PV, and battery energy storage (kW).