Publications

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Apparent char kinetic rates are commonly used to predict pulverized coal char burning rates. These kinetic rates quantify the char burning rate based on the temperature of the particle and the oxygen concentration at the particle surface, thereby inherently neglecting the impact of variations in the penetration of oxygen into the char on the predicted burning rate. To investigate the impact of variable extents of penetration during Zone II burning conditions, experimental measurements were performed of char particle combustion temperature and burnout for a common U.S. subbituminous coal burning in an optical laminar entrained flow reactor with either helium or nitrogen diluents. The combination of much higher thermal conductivity and mass diffusivity in the helium environments resulted in substantially cooler char combustion temperatures than in equivalent N2 environments. Measured char burnout was similar in the two environments for a given bulk oxygen concentration but was approximately 60% higher in helium environments for a given char combustion temperature. Detailed particle simulations of the experimental conditions confirmed a 60% higher burning rate in the helium environments as a function of char temperature, whereas catalyst theory predicts that the burning rate in helium could be as high as 90% greater than in nitrogen, in the limit of large Thiele modulus (i.e. near the diffusion limit). For application combustion in CO2 environments (e.g. for oxy-fuel combustion), these results demonstrate that due to differences in oxygen diffusivity the apparent char oxidation rates will be lower, but by no more than 9% relative to burning rates measured in nitrogen environments.

Apparent char kinetic rates are commonly used to predict pulverized coal char burning rates. These kinetic rates quantify the char burning rate based on the temperature of the particle and the oxygen concentration at the particle surface, thereby inherently neglecting the impact of variations in the penetration of oxygen into the char on the predicted burning rate. To investigate the impact of variable extents of penetration during Zone II burning conditions, experimental measurements were performed of char particle combustion temperature and burnout for a common U.S. subbituminous coal burning in an optical laminar entrained flow reactor with either helium or nitrogen diluents. The combination of much higher thermal conductivity and mass diffusivity in the helium environments resulted in substantially cooler char combustion temperatures than in equivalent N2 environments. Measured char burnout was similar in the two environments for a given bulk oxygen concentration but was approximately 60% higher in helium environments for a given char combustion temperature. Detailed particle simulations of the experimental conditions confirmed a 60% higher burning rate in the helium environments as a function of char temperature, whereas catalyst theory predicts that the burning rate in helium could be as high as 90% greater than in nitrogen, in the limit of large Thiele modulus (i.e. near the diffusion limit). For application combustion in CO2 environments (e.g. for oxy-fuel combustion), these results demonstrate that due to differences in oxygen diffusivity the apparent char oxidation rates will be lower, but by no more than 9% relative to burning rates measured in nitrogen environments.

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To meet the needs of public and private stakeholders involved in the development, construction, and operation of hydrogen fueling stations needed to support the widespread roll-out of hydrogen fuel cell electric vehicles, this work presents publicly available station templates and analyses. These ‘Reference Stations’ help reduce the cost and speed the deployment of hydrogen stations by providing a common baseline with which to start a design, enable quick assessment of potential sites for a hydrogen station, identify contributors to poor economics, and suggest areas of research. This work presents layouts, bills of materials, piping and instrumentation diagrams, and detailed analyses of five new station designs. In the near term, delivered hydrogen results in a lower cost of hydrogen compared to on-site production via steam methane reforming or electrolysis, although the on-site production methods have other advantages. Modular station concepts including on-site production can reduce lot sizes from conventional assemble-on-site stations.

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To meet the needs of public and private stakeholders involved in the development, construction, and operation of hydrogen fueling stations needed to support the widespread roll-out of hydrogen fuel cell electric vehicles, this work presents publicly available station templates and analyses. These 'Reference Stations' help reduce the cost and speed the deployment of hydrogen stations by providing a common baseline with which to start a design, enable quick assessment of potential sites for a hydrogen station, identify contributors to poor economics, and suggest areas of research. This work presents layouts, bills of materials, piping and instrumentation diagrams, and detailed analyses of five new station designs. In the near term, delivered hydrogen results in a lower cost of hydrogen compared to on-site production via steam methane reforming or electrolysis, although the on-site production methods have other advantages. Modular station concepts including on-site production can reduce lot sizes from conventional assemble-on-site stations.

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM is envisioned as a unifying platform combining validated, analytical models of hydrogen behavior, a stan- dardized, transparent QRA approach, and engineering models and generic data for hydrogen installations. HyRAM is being developed at Sandia National Laboratories for the U. S. De- partment of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. This document provides a description of the methodology and models contained in the HyRAM version 1.1. HyRAM 1.1 includes generic probabilities for hydrogen equipment fail- ures, probabilistic models for the impact of heat flux on humans and structures, and computa- tionally and experimentally validated analytical and first order models of hydrogen release and flame physics. HyRAM 1.1 integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet fires, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is a prototype software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals.

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In this work, under-expanded cryogenic hydrogen jets were investigated experimentally for their ignition and flame characteristics. The test facility described herein, was designed and constructed to release hydrogen at a constant temperature and pressure, to study the dispersion and thermo-physical properties of cryogenic hydrogen releases and flames. In this study, a non-intrusive laser spark focused on the jet axis was used to measure the maximum ignition distance. The radiative power emitted by the corresponding jet flames was also measured for a range of release scenarios from 37 K to 295 K, 2–6 barabsthrough nozzles with diameters from 0.75 to 1.25 mm. The maximum ignition distance scales linearly with the effective jet diameter (which scales as the square root of the stagnant fluid density). A 1-dimensional (stream-wise) cryogenic hydrogen release model developed previously at Sandia National Laboratories (although this model is not yet validated for cryogenic hydrogen) was exercised to predict that the mean mole fraction at the maximum ignition distance is approximately 0.14, and is not dependent on the release conditions. The flame length and width were extracted from visible and infra-red flame images for several test cases. The flame length and width both scale as the square root of jet exit Reynolds number, as reported in the literature for flames from atmospheric temperature hydrogen. As shown in previous studies for ignited atmospheric temperature hydrogen, the radiative power from the jet flames of cold hydrogen scales as a logarithmic function of the global flame residence time. The radiative heat flux from jet flames of cold hydrogen is higher than the jet flames of atmospheric temperature hydrogen, for a given mass flow rate, due to the lower choked flow velocity of low-temperature hydrogen. This study provides critical information with regard to the development of models to inform the safety codes and standards of hydrogen infrastructure.

The Reacting Particle and Boundary Layer (RPBL) model computes the transient-state conditions for a spherical, reacting, porous char particle and its reacting boundary layer. RPBL computes the transport of gaseous species with a Maxwell-Stefan multicomponent approach. Mass transfer diffusion coefficients are corrected to account for a non-stagnant bulk flow condition using a factor based on the Sherwood number. The homogeneous gas phase reactions are modeled with a syngas mechanism, and the heterogeneous reactions are calculated with a six-step reaction mechanism. Both homogeneous and heterogeneous reaction mechanisms are implemented in Cantera. Carbon density (burnout) is computed using the Bhatia and Perlmutter model to estimate the evolution of the specific surface area. Energy equations are solved for the gas temperature and the particle temperature. The physical properties of the particle are computed from the fractions of ash, carbon, and voids in the particle. The void fraction is computed assuming a constant diameter particle during the reaction process. RPBL solves a particle momentum equation in order to estimate the position of the particle in a specific reactor. We performed a validation and uncertainty quantification study with RPBL using experimental char oxidation data obtained in an optically accessible, laminar, entrained flow reactor at Sandia National Laboratories. We used a consistency analysis to compare RPBL and experimental data (with its associated uncertainty) for three coal chars over a range of particle sizes. We found consistency for particle temperature and velocity across all experiments.

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