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DOE OSTI2020

Materials Data on KY(CO)8 by Materials Project

KY(CO)8 crystallizes in the tetragonal P4/mcc space group. The structure is two-dimensional and consists of two KY(CO)8 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.92 Å. Y3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.39 Å. C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. O2- is bonded in a 1-coordinate geometry to one K1+, one Y3+, and one C+1.50+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(PO3)4 by Materials Project

KY(PO3)4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.21 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.48 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Y3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Y3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Y3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Y3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Y3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Y3+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Y3+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(MoO4)2 by Materials Project

KY(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.77–2.91 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.52 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Y3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(WO4)2 by Materials Project

KY(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.07 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.31 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one W6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, one Y3+, and two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(PO3)4 by Materials Project

KY(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.77–2.98 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.35–2.43 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Y3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Y3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Y3+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(H2N)4 by Materials Project

KY(NH2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four N3- and four H1+ atoms. There are a spread of K–N bond distances ranging from 2.90–2.95 Å. There are a spread of K–H bond distances ranging from 2.73–2.89 Å. Y3+ is bonded to six N3- atoms to form edge-sharing YN6 octahedra. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Y3+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Y3+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Y3+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the fourth N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Y3+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(CO3)4 by Materials Project

KY(CO3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.58 Å) and four longer (3.32 Å) K–O bond lengths. Y is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.37 Å) and four longer (2.38 Å) Y–O bond lengths. C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.26 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom. In the second O site, O is bonded in a single-bond geometry to one K atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one K, one Y, and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on KY by Materials Project

KY is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent K and six equivalent Y atoms to form KK6Y6 cuboctahedra that share corners with eighteen equivalent KK6Y6 cuboctahedra, edges with six equivalent KK6Y6 cuboctahedra, edges with twelve equivalent YK6Y6 cuboctahedra, faces with eight equivalent KK6Y6 cuboctahedra, and faces with twelve equivalent YK6Y6 cuboctahedra. All K–K bond lengths are 3.67 Å. All K–Y bond lengths are 4.16 Å. Y is bonded to six equivalent K and six equivalent Y atoms to form YK6Y6 cuboctahedra that share corners with eighteen equivalent YK6Y6 cuboctahedra, edges with six equivalent YK6Y6 cuboctahedra, edges with twelve equivalent KK6Y6 cuboctahedra, faces with eight equivalent YK6Y6 cuboctahedra, and faces with twelve equivalent KK6Y6 cuboctahedra. All Y–Y bond lengths are 3.67 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(BH4)4 by Materials Project

KY(BH4)4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded to six H+0.50+ atoms to form distorted KH6 octahedra that share corners with six BH4 tetrahedra and edges with two equivalent KH6 octahedra. There are two shorter (2.74 Å) and four longer (2.90 Å) K–H bond lengths. Y3+ is bonded to twelve H+0.50+ atoms to form distorted YH12 cuboctahedra that share faces with four BH4 tetrahedra. There are a spread of Y–H bond distances ranging from 2.29–2.37 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded to four H+0.50+ atoms to form BH4 tetrahedra that share a cornercorner with one KH6 octahedra and a faceface with one YH12 cuboctahedra. The corner-sharing octahedral tilt angles are 66°. There is one shorter (1.20 Å) and three longer (1.24 Å) B–H bond length. In the second B3- site, B3- is bonded to four H+0.50+ atoms to form BH4 tetrahedra that share corners with two equivalent KH6 octahedra and a faceface with one YH12 cuboctahedra. The corner-sharing octahedral tilt angles are 72°. There is one shorter (1.21 Å) and three longer (1.24 Å) B–H bond length. There are six inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one K1+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to two equivalent K1+ and one B3- atom. In the fifth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Y3+ and one B3- atom. In the sixth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(CuO2)2 by Materials Project

KY(CuO2)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to eight equivalent O2- atoms to form distorted edge-sharing KO8 hexagonal bipyramids. All K–O bond lengths are 2.90 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.41 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Y3+, and two equivalent Cu2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(SeO3)2 by Materials Project

KY(SeO3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.08 Å. Y3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.30 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.73 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Y3+, and one Se4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Y3+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Y3+, and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(CO3)2 by Materials Project

KY(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.24 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.50 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Y3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Y3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Y3+, and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(NbCl3)6 by Materials Project

KY(NbCl3)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded to twelve Cl1- atoms to form KCl12 cuboctahedra that share corners with three equivalent YCl6 octahedra, corners with six NbCl5 square pyramids, edges with three equivalent NbCl5 square pyramids, and faces with three equivalent NbCl5 square pyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of K–Cl bond distances ranging from 3.53–3.62 Å. Y3+ is bonded to six Cl1- atoms to form YCl6 octahedra that share corners with three equivalent KCl12 cuboctahedra and corners with six NbCl5 square pyramids. There are three shorter (2.66 Å) and three longer (2.71 Å) Y–Cl bond lengths. There are two inequivalent Nb+2.33+ sites. In the first Nb+2.33+ site, Nb+2.33+ is bonded to five Cl1- atoms to form NbCl5 square pyramids that share a cornercorner with one KCl12 cuboctahedra, a cornercorner with one YCl6 octahedra, corners with four NbCl5 square pyramids, and a faceface with one KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Nb–Cl bond distances ranging from 2.46–2.72 Å. In the second Nb+2.33+ site, Nb+2.33+ is bonded to five Cl1- atoms to form NbCl5 square pyramids that share a cornercorner with one KCl12 cuboctahedra, a cornercorner with one YCl6 octahedra, corners with four NbCl5 square pyramids, and an edgeedge with one KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Nb–Cl bond distances ranging from 2.47–2.71 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Nb+2.33+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Nb+2.33+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Nb+2.33+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Nb+2.33+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+ and two Nb+2.33+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+, one Y3+, and one Nb+2.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KY(TeO3)2 by Materials Project

KY(TeO3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.88–3.13 Å. Y3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.31 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.90 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Te–O bond lengths are 1.89 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Y3+, and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Y3+, and one Te4+ atom. In the fourth O2- site, O2- is bonded to two equivalent K1+, one Y3+, and one Te4+ atom to form a mixture of distorted edge and corner-sharing OK2YTe tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Session 077 - Panel: Wednesday US DOE Featured Site: Lexington, KY Office (Portsmouth and Paducah Sites) (R1.14)

This panel featured the DoE's Portsmouth Paducah Project Office (PPPO), which is responsible for the management and cleanup of at the Portsmouth, Ohio and Paducah, Kentucky former Gaseous Diffusion Plant sites. Portsmouth is primed for the first major skyline change at the site the upcoming demolition of the X-326 process building and initial operations of the Onsite Waste Disposal Facility. The Paducah site is working on the C-400 city block initiative allowing DOE to tackle the main source of groundwater contamination at the site, in conjunction with deactivation and demolition of the C-400 Cleaning Building. PPPO's DUF6 conversion plants have 7 lines in continuous operation at both sites providing the opportunity to ramp up cylinder processing. Panelists with presentations: DOE PPO Update (Robert Edwards, Joel Bradburne); Portsmouth/Paducah Project Office (PPPO) (Joel Bradburne, Robert Edwards); PADUCAH (Jennifer Woodard, Myrna Espinosa Redfield); Depleted Uranium Hexafluoride Conversion Project (Reinhard Knerr, Zack Smith); Paducah Deactivation and Remediation Project (Myrna Espinosa Redfield); Mid-America Conversion Services - Seven Lines One Project (Zack Smith)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Mercury linked to Deccan Traps volcanism, climate change and the end-Cretaceous mass extinction

Mercury (Hg) anomalies linked to Large Igneous Provinces (LIP) volcanism have been identified in sediments across all five major mass extinctions in Earth's history. This study tests whether Hg in marine sediments is a reliable proxy linking Deccan Traps volcanic eruptions to late Maastrichtian global climate warming and the mass extinction at the Cretaceous-Paleogene boundary (KPB). Our primary test site is the Elles section in Tunisia, the auxiliary Global Stratotype Section and Point (GSSP) to El Kef. Elles has the most complete marine sedimentary record and a high average sedimentation rate of ~4.7 cm/ky. Here, we chose the Hor Hahar section in Israel to corroborate the geographic distribution of Hg fallout from Deccan volcanism. Reliability of the Hg proxy over the last 550 ky of the Maastrichtian to early Danian was evaluated based on high-resolution age control (orbital cyclostratigraphy), stable isotope climate record, Hg concentrations, biotic turnover and mass extinction. These results were correlated with the pulsed Deccan eruptive history constrained previously by U-Pb zircon geochronology. Our results support Hg as robust proxy for Deccan volcanism with large Hg spikes marking “extreme event” (EE) pulsed eruptions correlative with climate warming peaks separated by steady, less intense eruptions. Long-term global climate warming began near ~350 ky pre-KPB, reached maximum warming (3–4 °C) between 285 and 200 ky pre-KPB, followed by gradual cooling and rapid temperature drop between 45 and 25 ky pre-KPB. During the last 25 ky before the KPB, multiple Hg EE eruptions correlate with hyperthermal warming that culminated in the rapid mass extinction at Elles during ≤1000 years of the Cretaceous. These latest Cretaceous Hg peaks may correlate with massive, distal, Deccan-sourced lava flows (>1000 km long) that traversed the Indian subcontinent and flowed into the Bay of Bengal, bracketing the mass extinction. These results support Deccan volcanism as a primary driver of the end-Cretaceous mass extinction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Radiokrypton unveils dual moisture sources of a deep desert aquifer

We report that in arid regions, groundwater is a vital resource that can also provide a long-term record of the regional water cycle. However, the use of groundwater as a paleoclimate proxy has been limited by the complex hydrology and the lack of appropriate chronometers to determine the recharge time without complication. Applying 81 Kr, a long-lived radioisotope tracer, we investigate the paleohydroclimate and subsurface water storage properties of the Nubian Sandstone Aquifer in the Negev Desert, Israel. Based on the spatial distributions of stable isotopes and the abundance of 81 Kr, we resolve subsurface mixing and identify two distinct moisture sources of the recharge: one recent (<38 ky ago) from the Mediterranean and the other 361 ± 30 ky ago from the tropical Atlantic, both of which occurred under conditions of low orbital eccentricity comparable to that of the present. The recent recharge provided by the moisture from Mediterranean cyclones can be attributed to the southward shift of the storm track during the Last Glacial Maximum, and the earlier recharge can be attributed to moisture from the Atlantic delivered as tropical plumes under a climate colder than the present. Furthermore, the residence time of the latter reveals that tectonically active terrain can store groundwater for an unexpectedly long period, likely due to strongly attenuated groundwater flow across the fault zones. Lastly with this tracer, groundwater can now serve as a direct record of paleoprecipitation over land and of subsurface water storage from the mid-Pleistocene and onward.

58 GEOSCIENCES↗
DOE OSTI2019

Gasification Combined Heat and Power from Coal Fines

The goal of this final project report is to comprehensively summarize the work for public domain conducted on project DE-FE 0031520. In accordance with the Statement of Project Objectives (SOPO), the University of Kentucky Center for Applied Energy Research (UKy-CAER) (Recipient) has completed a Front End Engineering Design (FEED) study 5 MWe polygeneration unit using the Coal Fields Regional Industrial Park in Hazard, Kentucky (KY) as a model location and using coal recovered from the adjacent Pads Branch Impoundment as feed. The scope of work is a thorough study that can be used as a template for the application of the proposed technology throughout Eastern KY and other coal communities nationwide. The Technology Design Basis was developed based on three elements: basic site characteristics; fuel feedstock; and environmental health and safety requirements. The Basic Engineering Design Elements include the preliminary process design (the process area descriptions; the Block Flow Diagram (BFD), Process Flow Diagrams (PFDs) and Piping and Instrumentation Diagrams (P&IDs), process simulation outputs and Heat and Mass Balance (H&MB) stream tables, the major process equipment and instrumentation lists which includes specifications and materials of construction); the cost estimate (capital cost estimate, operational cost estimate, and comparison with state-of-the-art commercial scale similar technologies, options to lower cost, construction cost and schedule estimate); and other supporting elements (guidelines for execution and management of the project), logistical summary, and balance of plant summary, the Environmental Health and Safety (EH&S) assessment; and a Social and Economic Impact (S&EI) assessment. All project milestones, deliverables and success criteria were met. The proposed 5 MWe polygeneration facility being fed from impoundment recovered coal has been shown to be technically feasible. Annual revenues are estimated at $\$ $2.4M from electricity, steam and hydrocarbon production; annual operating expenses are $\$ $5.2M ($\$ $2.9 M in operating expenses, and $\$ $2.4M in indirect expenses). The gasifier facility, as configured during the FEED, will lose money when operating under commercial operating conditions and terms. However, eight options improving the economics can be considered during the detailed design phase to make the facility profitable by taking advantage of the positive differential of revenue to variable operating costs, and reducing the influence of fixed operating costs. Coupled with the findings from the S&EI assessment estimating a total economic impact of $\$ $374M for the proposed polygeneration facility at >$\$ $1.5B, if three additional such projects are implemented, clearly positive economics are demonstrated. No EH&S issues are identified that would prohibit proceeding with the project, although permitting efforts are estimated to take 3-5 years.

01 COAL, LIGNITE, AND PEAT↗