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Fulton, John

Publications and source records attributed to Fulton, John.

7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Active species in chloroaluminate ionic liquids catalyzing low-temperature polyolefin deconstruction

Abstract Chloroaluminate ionic liquids selectively transform (waste) polyolefins into gasoline-range alkanes through tandem cracking-alkylation at temperatures below 100 °C. Further improvement of this process necessitates a deep understanding of the nature of the catalytically active species and the correlated performance in the catalyzing critical reactions for the tandem polyolefin deconstruction with isoalkanes at low temperatures. Here, we address this requirement by determining the nuclearity of the chloroaluminate ions and their interactions with reaction intermediates, combining in situ 27 Al magic-angle spinning nuclear magnetic resonance spectroscopy, in situ Raman spectroscopy, Al K-edge X-ray absorption near edge structure spectroscopy, and catalytic activity measurement. Cracking and alkylation are facilitated by carbenium ions initiated by AlCl 3 - tert -butyl chloride (TBC) adducts, which are formed by the dissociation of Al 2 Cl 7 − in the presence of TBC. The carbenium ions activate the alkane polymer strands and advance the alkylation cycle through multiple hydride transfer reactions. In situ 1 H NMR and operando infrared spectroscopy demonstrate that the cracking and alkylation processes occur synchronously; alkenes formed during cracking are rapidly incorporated into the carbenium ion-mediated alkylation cycle. The conclusions are further supported by ab initio molecular dynamics simulations coupled with an enhanced sampling method, and model experiments using n-hexadecane as a feed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Space Launch Authorities

This report identifies current best understanding of federal agencies that are responsible for the safe transportation and handling of nuclear materials during various phases of space launch activities and how they interact. It explores the following questions: (1) Which federal agencies have roles, responsibilities, and statutory authorities related to the launch, orbit, and reentry of nuclear materials and components? (2) What relevant current/recent activities are those federal agencies involved in?

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

NIRP Core Software Suite v.5.1

SAND2023-06610O The Nuclear Incident Response Program (NIRP) Core Software Suite is a set of code that supports multiple applications. It includes miscellaneous base code for data objects, mathematic equations, and user interface components that are used for developing large applications, including those used for data management. Among the types of applications: • Analyst Manager is used for managing contact information, which is also often included in reports and identifies the owners of calculations. • Radionuclide Viewer provides access to the Dose Coefficient File Package (DCFPAK) radiological data, and it complements the Mixture Manager tool. • Mixture Manager creates and manages radionuclides mixtures that are commonly used in other applications. • High Explosive Manager manages explosives and properties. • Chart Viewer is used for data charts such as meteorology charts and other charts specific to data needs. • Unit Converter converts numeric values to/from different units. This package includes object-oriented base code such as data objects describing the date, time, and location of an event; weather conditions; data types that support predefined ranges of values; a unit library, and others. The package also includes mathematic equations such as determining the distance between two points; erf functions; factorial functions; incidence fractions of probit curves; and others. Other features are customized user interface components for text fields; unit selectors (combo boxes); menus; panels; bug-tracking; and automated checks for software updates. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Collins, Ian↗
NASA NTRS2001

Warm-Core Intensification Through Horizontal Eddy Heat Transports into the Eye

A simulation of Hurricane Bob (1991) using the PSU/NCAR MM5 mesoscale model with a finest mesh spacing of 1.3 km is used to diagnose the heat budget of the hurricane. Heat budget terms, including latent and radiative heating, boundary layer forcing, and advection terms were output directly from the model for a 6-h period with 2-min frequency. Previous studies of warm core formation have emphasized the warming associated with gentle subsidence within the eye. The simulation of Hurricane Bob confirms subsidence warming as a major factor for eye warming, but also shows a significant contribution from horizontal advective terms. When averaged over the area of the eye, subsidence is found to strongly warm the mid-troposphere (2-9 km) while horizontal advection warms the mid to upper troposphere (5-13 km) with about equal magnitude. Partitioning of the horizontal advective terms into azimuthal mean and eddy components shows that the mean radial circulation does not, as expected, generally contribute to this warming, but that it is produced almost entirely by the horizontal eddy transport of heat into the eye. A further breakdown of the eddy components into azimuthal wave numbers 1, 2, and higher indicates that the warming is dominated by wave number 1 asymmetries, with smaller coming from higher wave numbers. Warming by horizontal eddy transport is consistent with idealized modeling of vortex Rossby waves and work is in progress to identify and clarify the role of vortex Rossby waves in warm-core intensification in both the full-physics model and idealized models.

Braun, Scott A.↗
NASA NTRS2001

Warm-Core Intensification Through Horizontal Eddy Heat Transports into the Eye

The mechanism for the formation and intensification of the hurricane warm core is not well understood. The generally accepted explanation is that the warm core forms as a result of gentle subsidence of air within the eye that warms as a result of adiabatic compression. Malkus suggested that this subsidence is part of a deep circulation in which air begins descent at high levels in the eye, acquires cyclonic angular momentum as it descends to lower levels, and then diverges at low levels, where it is entrained back into the eyewall. Inward mixing from the eyewall is hypothesized to force the subsidence and maintain the moisture and momentum budgets of the subsiding air. Willoughby suggested that air within the eye has remained so since it was first enclosed during the formation of the eyewall and that it subsides at most only a few kilometers rather than through the depth of the troposphere. He relates the subsidence to the low-level divergence and entrainment into the eyewall noted by Malkus, but suggests that shrinkage of the eye's volume is more than adequate to account for the air lost to the eyewall or converted to cloudy air by turbulent mixing across the eye boundary. Smith offered an alternative view of the subsidence forcing, suggesting that vertical motion in a mature hurricane eye is generated largely by imbalances between the downward vertical pressure gradient force and the upward buoyancy force. The vertical pressure gradient force is associated with the decay and/or radial spread of the tangential wind field with height at those levels were the winds are in approximate gradient wind balance. The rate of subsidence is just that required to warm the air sufficiently such that the buoyancy remains in close hydrostatic balance with an increasing vertical pressure gradient force. In this study, a very high-resolution simulation of Hurricane Bob using a cloud-resolving grid scale of 1.3 km is used to examine the heat budget within the storm with particular emphasis on the mechanisms for warming of the eye.

Braun, Scott A.↗
NASA NTRS2001

Warm-Core Intensification of a Hurricane Through Horizontal Eddy Heat Transports Inside the Eye

A simulation of Hurricane Bob (1991) using the PSU/NCAR MM5 mesoscale model with a finest mesh spacing of 1.3 km is used to diagnose the heat budget of the hurricane. Heat budget terms, including latent and radiative heating, boundary layer forcing, and advection terms were output directly from the model for a 6-h period with 2-min frequency. Previous studies of warm core formation have emphasized the warming associated with gentle subsidence within the eye. The simulation of Hurricane Bob also identifies subsidence warming as a major factor for eye warming, but also shows a significant contribution from horizontal advective terms. When averaged over the area of the eye, excluding the eyewall (at least in an azimuthal mean sense), subsidence is found to strongly warm the mid-troposphere (2-9 km) while horizontal advection warms the mid to upper troposphere (5-13 km) with about equal magnitude. Partitioning of the horizontal advective terms into azimuthal mean and eddy components shows that the mean radial circulation cannot, as expected, generally contribute to this warming, but that it is produced almost entirely by the horizontal eddy transport of heat into the eye. A further breakdown of the eddy components into azimuthal wave numbers 1, 2, and higher indicates that the warming is dominated by wave number 1 asymmetries, with smaller contributions coming from higher wave numbers. Warming by horizontal eddy transport is consistent with idealized modeling of vortex Rossby waves and work is in progress to identify and clarify the role of vortex Rossby waves in warm-core intensification in both the full-physics model and idealized models.

Braun, Scott A.↗