SEARCH · Engineering Papers

Results for “Route optimization”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31

All sources NASA NTRS DOE OSTI

DOE OSTI2018

Nitrogen and sulfur co-doped porous carbon sheets for energy storage and pH-universal oxygen reduction reaction

Developing efficient electrocatalysts for energy storage and oxygen reduction reaction (ORR) is of great sig-nificance for the utilization of renewable energy. In particular, designing catalysts with both promising activityand long stability for ORR in pH-universal electrolytes still remain as a tremendous challenge. To tackle such aproblem, metal-free nitrogen and sulfur co-doped porous carbon sheet (NSPCS) was rationally designed in thiswork in order to integrate the two reported routes of enhancing the electrocatalytic activity of graphene. The as-prepared NSPCS has an onset potential of 0.89 V vs. RHE, and half-wave potential E1/2 ≈ 0.75 V during ORR inacidic solution, making it as the most active ORR catalyst. Moreover, the resulting NSPCS also shows a 0.03 Vpositive shift of half-wave potential than commercial Pt/C for ORR and excellent charge capacitive performancein alkaline media. Electron microscopy revealed high degree of defects on NSPCS surface. This, coupled withsynergistic doping effects of nitrogen and sulfur, optimized the active sites and charge transfer, rationalized theoutstanding performance in both oxygen reduction reactions and supercapacitors.Developing efficient electrocatalysts for energy storage and oxygen reduction reaction (ORR) is of great significance for the utilization of renewable energy. In particular, designing catalysts with both promising activity and long stability for ORR in pH-universal electrolytes still remain as a tremendous challenge. To tackle such a problem, metal-free nitrogen and sulfur co-doped porous carbon sheet (NSPCS) was rationally designed in this work in order to integrate the two reported routes of enhancing the electrocatalytic activity of graphene. The as-prepared NSPCS has an onset potential of 0.89 V vs. RHE, and half-wave potential E-1/2 approximate to 0.75 V during ORR in acidic solution, making it as the most active ORR catalyst. Moreover, the resulting NSPCS also shows a 0.03 V positive shift of half-wave potential than commercial Pt/C for ORR and excellent charge capacitive performance in alkaline media. Electron microscopy revealed high degree of defects on NSPCS surface. This, coupled with synergistic doping effects of nitrogen and sulfur, optimized the active sites and charge transfer, rationalized the outstanding performance in both oxygen reduction reactions and supercapacitors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Development of a Heavy-Duty Electric Vehicle Integration and Implementation (HEVII) Tool

As demand for consumer electric vehicles (EVs) has drastically increased in recent years, manufacturers have been working to bring heavy-duty EVs to market to compete with Class 6-8 diesel-powered trucks. Many high-profile companies have committed to begin electrifying their fleet operations, but have yet to implement EVs at scale due to their limited range, long charging times, sparse charging infrastructure, and lack of data from in-use operation. Thus far, EVs have been disproportionately implemented by larger fleets with more resources. To aid fleet operators, it is imperative to develop tools to evaluate the electrification potential of heavy-duty fleets. However, commercially available tools, designed mostly for light-duty vehicles, are inadequate for making electrification recommendations tailored to a fleet of heavy-duty vehicles. The main challenge is that light-duty tools do not estimate real-time vehicle mass, a factor that has a disproportionate impact on the energy consumption of large commercial vehicles. The Heavy-Duty Electric Vehicle Integration and Implementation (HEVII) tool advances the state of the art in evaluating electrification potential and infrastructure requirements for fleets of commercial vehicles. In this work, the HEVII tool is demonstrated with non-uniformly sampled telematics data from an existing fleet to assess the suitability for electrification of each individual vehicle, determine optimal locations for charging infrastructure to support a fleet of EVs and analyze associated costs. Payload mass is predicted using sparse ground-truth data for all input drive cycles and an initial data analysis is conducted to assess the characteristics driving behaviors and energy consumption of the fleet using an adaptable vehicle model. Battery size requirements are determined by applying a novel charger placement algorithm to maximize routes that are viable for EVs and balance time delays with infrastructure development costs. This work details and demonstrates the different aspects of the HEVII tool, presenting preliminary results from an example use case.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2015

Optoelectronic Quality and Stability of Hybrid Perovskites from MAPbI 3 to MAPbI 2 Br Using Composition Spread Libraries

The development of stable high-bandgap hybrid perovskites (HPs) with high optoelectronic quality may enable tandem solar cells with power conversion efficiencies approaching 30%. The halide composition of HPs has been observed to effect bandgap, carrier lifetime, and material stability. Here we report optoelectronic quality and stability under illumination of thousands of compositions ranging from the pure iodide (CH3NH3PbI3) to the diiodomonobromide (CH3NH3PbI2Br). Hyperspectral maps of steady-state absolute intensity photoluminescence (AIPL) are used to determine the quasi-Fermi level splitting (QFLS) at each point after synthesis. The QFLS upon first illumination increases with bandgap and reaches a maximum of 1.27 eV under 1 sun illumination intensity for a bandgap of 1.75 eV. However, the optoelectronic quality (χ), defined as the ratio of the QFLS to the maximum theoretical QFLS for bandgap, decreases with bandgap from around 88% for 1.60 eV bandgap down to 82% for 1.84 eV bandgap. Further, we show that a reversible light induced defect forms that reduces the optoelectronic quality, particularly for high-bandgap materials. Composition analysis shows that the halide to lead ratio, (I + Br)/Pb, decreases from 3 for the pure iodide to 2.5 for the diiodomonobromide, suggesting a role of halide vacancies or halide substitution defects in the light-induced instability for this synthesis route. Even with the light-induced defect, a stable QFLS of about 1.17 eV is possible. Comparing our QFLS to Voc values from HP devices reported in the literature indicates that higher open circuit voltages are possible but may require optimization of band alignment. Further, the spectral shape of the PL emission is found to be more commensurate with Franz–Keldysh broadening from local electric fields or from a screened Thomas–Fermi density of states (as opposed to a joint density of states due to Urbach disorder).

14 SOLAR ENERGY↗

DOE OSTI2022

Orthogonal glycolytic pathway enables directed evolution of noncanonical cofactor oxidase

Abstract Noncanonical cofactor biomimetics (NCBs) such as nicotinamide mononucleotide (NMN + ) provide enhanced scalability for biomanufacturing. However, engineering enzymes to accept NCBs is difficult. Here, we establish a growth selection platform to evolve enzymes to utilize NMN + -based reducing power. This is based on an orthogonal, NMN + -dependent glycolytic pathway in Escherichia coli which can be coupled to any reciprocal enzyme to recycle the ensuing reduced NMN + . With a throughput of >10 6 variants per iteration, the growth selection discovers a Lactobacillus pentosus NADH oxidase variant with ~10-fold increase in NMNH catalytic efficiency and enhanced activity for other NCBs. Molecular modeling and experimental validation suggest that instead of directly contacting NCBs, the mutations optimize the enzyme’s global conformational dynamics to resemble the WT with the native cofactor bound. Restoring the enzyme’s access to catalytically competent conformation states via deep navigation of protein sequence space with high-throughput evolution provides a universal route to engineer NCB-dependent enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Beyond low lignin: Identifying the primary barrier to plant biomass conversion by fermentative bacteria

Renewable alternatives for nonelectrifiable fossil-derived chemicals are needed and plant matter, the most abundant biomass on Earth, provide an ideal feedstock. However, the heterogeneous polymeric composition of lignocellulose makes conversion difficult. Lignin presents a formidable barrier to fermentation of nonpretreated biomass. Extensive chemical and enzymatic treatments can liberate fermentable carbohydrates from plant biomass, but microbial routes offer many advantages, including concomitant conversion to industrial chemicals. Here, testing of lignin content of nonpretreated biomass using the cellulolytic thermophilic bacterium,Anaerocellum bescii, revealed that the primary microbial degradation barrier relates to methoxy substitutions in lignin. This contrasts with optimal lignin composition for chemical pretreatment that favors high S/G ratio and low H lignin. Genetically modified poplar trees with diverse lignin compositions confirm these findings. In addition, poplar trees with low methoxy content achieve industrially relevant levels of microbial solubilization without any pretreatments and with no impact on tree fitness in greenhouse.

Science & Technology - Other Topics↗

DOE OSTI2013

A Multi-Route Model of Nicotine-Cotinine Pharmacokinetics, Pharmacodynamics and Brain Nicotinic Acetylcholine Receptor Binding in Humans

The pharmacokinetics of nicotine, the pharmacologically active alkaloid in tobacco responsible for addiction, are well characterized in humans. We developed a physiologically based pharmacokinetic/pharmacodynamic model of nicotine pharmacokinetics, brain dosimetry and brain nicotinic acetylcholine receptor (nAChRs) occupancy. A Bayesian framework was applied to optimize model parameters against multiple human data sets. The resulting model was consistent with both calibration and test data sets, but in general underestimated variability. A pharmacodynamic model relating nicotine levels to increases in heart rate as a proxy for the pharmacological effects of nicotine accurately described the nicotine related changes in heart rate and the development and decay of tolerance to nicotine. The PBPK model was utilized to quantitatively capture the combined impact of variation in physiological and metabolic parameters, nicotine availability and smoking compensation on the change in number of cigarettes smoked and toxicant exposure in a population of 10,000 people presented with a reduced toxicant (50%), reduced nicotine (50%) cigarette Across the population, toxicant exposure is reduced in some but not all smokers. Reductions are not in proportion to reductions in toxicant yields, largely due to partial compensation in response to reduced nicotine yields. This framework can be used as a key element of a dosimetry-driven risk assessment strategy for cigarette smoke constituents.

Teeguarden, Justin G↗

DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗

DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗

DOE OSTI2017

Thermodynamic and Microstructural Mechanisms in the Corrosion of Advanced Ceramic Tc-bearing Waste Forms and Thermophysical Properties

Technetium-99 (Tc, t 1/2 = 2.13x10 5 years) is a challenge from a nuclear waste perspective and is one of the most abundant, long-lived radioisotopes found in used nuclear fuel (UNF). Within the Hanford Tank Waste Treatment and Immobilization Plant, technetium volatilizes at typical glass melting temperature, is captured in the off-gas treatment system and recycled back into the feed to eventually increase Tc-loadings of the glass. The aim of this NEUP project was to provide an alternative strategy to immobilize fission technetium as durable ceramic waste form and also to avoid the accumulation of volatile technetium within the off gas melter system in the course of vitrifying radioactive effluents in a ceramic melter. During this project our major attention was turned to the fabrication of chemical durable mineral phases where technetium is structurally bond entirely as tetravalent cation. These mineral phases will act as the primary waste form with optimal waste loading and superior resistance against leaching and corrosion. We have been very successful in fabricating phase-pure micro-gram amounts of lanthanide-technetium pyrochlores by dry-chemical synthesis. However, upscaling to a gram-size synthesis route using either dry- or wet-chemical processing was not always successful, but progress can be reported on a variety of aspects. During the course of this 5-year NEUP project (including a 2-year no-cost extension) we have significantly enhanced the existing knowledge on the fabrication and properties of ceramic technetium waste forms.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Unraveling Defect-Dependent Conductivity-Type Switching in CuFe 2 O 4 for Enhanced Photoelectrocatalytic Reduction of Benzaldehyde

Photoelectrocatalytic (PEC) reduction provides a sustainable route for upgrading biomass-derived feedstocks with reduced energy requirements, yet remains largely unexplored beyond hydrogen evolution and CO 2 reduction due to the scarcity of stable photocathodes. Here, we report a defect-engineered CuFe 2 O 4 photocathode that enables directly quantified PEC reduction of benzaldehyde to benzyl alcohol using a singlecomponent, earth-abundant oxide. By controlling annealing temperature and oxygen partial pressure, CuFe 2 O 4 is systematically tuned from n-type to p-type conductivity. Electrochemical measurements, X-ray and ultraviolet photoelectron spectroscopy, and firstprinciples defect calculations collectively show that oxygen-rich annealing conditions suppress deep donor-type oxygen vacancies while stabilizing shallow acceptor-type copper vacancies, resulting in enhanced hole concentration and improved charge transport. In a mixed acetonitrile/water electrolyte employing 1,4-benzoquinone as a redox mediator, the optimized CuFe 2 O 4 photocathode achieves stable photoelectrochemical operation over 18 h under continuous illumination with a benzyl alcohol production rate of 2.57 μmol/h at −0.50 V vs Ag/AgNO 3 , corresponding to a Faradaic efficiency of 51.3%. This PEC approach lowers the required applied potential by ∼1 V compared to traditional electrocatalytic methods, offering a more energy-efficient route for carbonyl reduction. These findings establish CuFe 2 O 4 as a viable photocathode platform for sustainable photoelectrocatalytic organic transformations under mild reaction conditions.

benzaldehyde reduction↗

DOE OSTI2012

Solid-state chemistry route for supported tungsten and tungsten carbide nanoparticles

Nanoparticles of tungsten and tungsten carbide have been prepared using solid-state chemistry methods. After the vapor phase impregnation of a tungsten hexachloride precursor on a carbon support, a temperature-programmed reduction/carburization was performed. Several parameters were investigated and the evolution of obtained samples was followed by XRD and TEM. The optimization of the reaction parameters led to the preparation of W, W{sub 2}C and WC particles well dispersed on the support. WC phase however could not be obtained alone with less than 10 nm mean size. This could be explained by the carburization mechanism and the carbon diffusion on the support. - Graphical abstract: Bright field picture of carbon-supported WC nanoparticles dispersed on the surface of the sample 1223 K in 10% CH{sub 4}/90% H{sub 2}. Highlights: Black-Right-Pointing-Pointer We aimed at the preparation of supported nanoparticulate tungsten derivatives. Black-Right-Pointing-Pointer Several parameters were investigated. Black-Right-Pointing-Pointer The evolution of obtained samples was followed by XRD and TEM. Black-Right-Pointing-Pointer The optimal preparation led to W, W{sub 2}C and WC particles dispersed on the support.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

High temperature high strength austenitic steel fabricated by laser powder-bed fusion

Extremely fast cooling rates during laser powder-bed fusion (LPBF) can result in materials with unique microstructures. For LPBF 316L stainless steel, the formation of sub-grain cellular structures with high dislocation density has been linked to superior tensile properties at room temperature. This cellular structure offers also a new route for the development of high temperature LPBF steels with the nucleation of nano-size strengthening carbides in the cell walls. HK30Nb steel (Fe-25Cr-20Ni-Nb-C) was, therefore, fabricated by LPBF to evaluate its potential for high temperature applications. Optimization of the fabrication parameters yielded material with density greater than 99.7%, with nano Nb-rich precipitates in the cell walls. Annealing at 800 °C for 5h resulted in the nucleation and growth of additional precipitates mainly in the cell walls and at grain boundaries. Furthermore, the high dislocation density led to yield strength at 20–900 °C two to three times higher than yield strength for cast HK30Nb and the nano carbides in the cell walls significantly improved the cellular structure stability at 800 °C.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A branch-and-price algorithm for a team orienteering problem with fixed-wing drones

This paper formulates a team orienteering problem with multiple fixed-wing drones and develops a branch-and-price algorithm to solve the problem to optimality. Fixed-wing drones, unlike rotary drones, have kinematic constraints associated with them, thereby preventing them to make on-the-spot turns and restricting them to a minimum turn radius. This paper presents the implications of these constraints on the drone routing problem formulation and proposes a systematic technique to address them in the context of the team orienteering problem. Furthermore, a novel branch-and-price algorithm with branching techniques specific to the constraints imposed due to fixed-wing drones are proposed. Extensive computational experiments on benchmark instances corroborating the effectiveness of the algorithms are also presented.

42 ENGINEERING↗

DOE OSTI2023

Plasma catalytic non-oxidative methane conversion to hydrogen and value-added hydrocarbons on zeolite 13X

Non-thermal plasma has unfolded highly efficient, safe to operate novel routes for methane conversion to hydrogen. In this work, methane conversion is performed under atmospheric dielectric barrier discharge (DBD) plasma with and without 13X zeolite-based catalysts i.e., 13X, Ga/13X, Pd/13X, and Pd-Ga/13X. Experimental results indicate that the plasma catalytic process delivered almost twofold higher product yield than the plasma only route. The binary Pd-Ga catalyst possesses highest catalytic performance with about 40 % CH 4 conversion at an input flowrate of 5 cm 3 min -1 and 2W due to the formation of the Pd-Ga alloy, which acts as catalytic active centre for activating C–H bonds. Product yield can be tailored by the catalyst design where the bimetallic Pd-Ga/13X preferably favours the hydrocarbon formation while H 2 is the dominant product obtained over the Pd/13X. The cleavage of C–H bonds of methane molecule over the plasma only route is mainly governed by energetic electrons in the gaseous phase the catalyst activity, and plasma-catalyst synergism play a significant role in the plasma catalysis process. Further, the findings from this work provide significant insights into the methane activation for subsequent optimization of the methane conversion processes operated on floating production, storage, and offloading vessels (FPSOVs). Exploiting untapped offshore natural gas reserves, where conventional pipeline systems are less economical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Regular sensitivity computation avoiding chaotic effects in particle-in-cell plasma methods

Particle-in-cell (PIC) simulation methods are attractive for representing species distribution functions in plasmas. However, as a model, they introduce uncertain parameters, and for quantifying their prediction uncertainty it is useful to be able to assess the sensitivity of a quantity-of-interest (QoI) to these parameters. Such sensitivity information is likewise useful for optimization. However, computing sensitivity for PIC methods is challenging due to the chaotic particle dynamics, and sensitivity techniques remain underdeveloped compared to those for Eulerian discretizations. This challenge is examined from a dual particle–continuum perspective that motivates a new sensitivity discretization. Two routes to sensitivity computation are presented and compared: a direct fully-Lagrangian particle-exact approach provides sensitivities of each particle trajectory, and a new particle-pdf discretization, which is formulated from a continuum perspective but discretized by particles to take the advantages of the same type of Lagrangian particle description leveraged by PIC methods. Since the sensitivity particles in this approach are only indirectly linked to the plasma-PIC particles, they can be positioned and weighted independently for efficiency and accuracy. The corresponding numerical algorithms are presented here in mathematical detail. The advantage of the particle-pdf approach in avoiding the spurious chaotic sensitivity of the particle-exact approach is demonstrated for Debye shielding and sheath configurations. In essence, the continuum perspective makes implicit the distinctness of the particles, which circumvents the Lyapunov instability of the N -body PIC system. The cost of the particle-pdf approach is comparable to the baseline PIC simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

BCC-Phased PdCu Alloy as a Highly Active Electrocatalyst for Hydrogen Oxidation in Alkaline Electrolytes

We report that anion-exchange membrane fuel cells hold promise to greatly reduce cost by employing nonprecious metal cathode catalysts. More efficient anode catalysts are needed, however, to improve the sluggish hydrogen oxidation reaction in alkaline electrolytes. We report that BCC-phased PdCu alloy nanoparticles, synthesized via a wet-chemistry method with a critical thermal treatment, exhibit up to 20-fold HOR improvement in both mass and specific activities, compared with the FCC-phased PdCu counterparts. HOR activity of the BCC-phased PdCu is 4 times or 2 times that of Pd/C or Pt/C, respectively, in the same alkaline electrolyte. In situ HE-XRD measurements reveal that the transformation of PdCu crystalline structure favors, at low annealing temperature (<300 °C), the formation of FCC structure. At higher annealing temperatures (300–500 °C), a BCC structure dominates the PdCu NPs. Density functional theory (DFT) computations unravel a similar H binding strength and a much stronger OH binding of the PdCu BCC surface (cf. FCC surface), both of which are simultaneously close to those of Pt surfaces. The synergistic optimization of both H and OH binding strengths is responsible for the enhancement of HOR activity on BCC-phased PdCu, which could serve as an efficient anode catalyst for anion-exchange membrane fuel cells. Lastly, this work might open a new route to develop efficient HOR catalysts from the perspective of crystalline structure transformation.

36 MATERIALS SCIENCE↗

DOE OSTI2024

"Designing, simulating, and performing the 100-AV field test for the CIRCLES consortium: Methodology and Implementation of the Largest mobile traffic control experiment to date"

Previous controlled experiments on single-lane ring roads have shown that a single partially autonomous vehicle (AV) can effectively mitigate traffic waves. This naturally prompts the question of how these findings can be generalized to field operational, high-density traffic conditions. To address this question, the Congestion Impacts Reduction via CAV-in-the-loop Lagrangian Energy Smoothing (CIRCLES) Consortium conducted MegaVanderTest (MVT), a live traffic control experiment involving 100 vehicles near Nashville, TN, USA. This article is a tutorial for developing analytical and simulation-based tools essential for designing and executing a live traffic control experiment like the MVT. It presents an overview of the proposed roadmap and various procedures used in designing, monitoring, and conducting the MVT, which is the largest mobile traffic control experiment at the time. The design process is aimed at evaluating the impact of the CIRCLES AVs on surrounding traffic. The article discusses the agent-based traffic simulation framework created for this evaluation. A novel methodological framework is introduced to calibrate this microsimulation, aiming to accurately capture traffic dynamics and assess the impact of adding 100 vehicles to existing traffic. The calibration model's effectiveness is verified using data from a six-mile section of Nashville's I-24 highway. The results indicate that the proposed model establishes an effective feedback loop between the optimizer and the simulator, thereby calibrating flow and speed with different spatiotemporal characteristics to minimize the error between simulated and real-world data. Finally, We simulate AVs in multiple scenarios to assess their effect on traffic congestion. This evaluation validates the AV routes, thereby contributing to the execution of a safe and successful live traffic control experiment via AVs.

Ameli, Mostafa↗

DOE OSTI2017

Transformation of zinc-concentrate in surface and subsurface environments: Implications for assessing zinc mobility/toxicity and choosing an optimal remediation strategy

Zinc contamination in near- and sub-surface environments is a serious threat to many ecosystems and to public health. Sufficient understanding of Zn speciation and transport mechanisms is therefore critical to evaluating its risk to the environment and to developing remediation strategies. The geochemical and mineralogical characteristics of contaminated soils in the vicinity of a Zn ore transportation route were thoroughly investigated using a variety of analytical techniques (sequential extraction, XRF, XRD, SEM, and XAFS). Imported Zn-concentrate (ZnS) was deposited in a receiving facility and dispersed over time to the surrounding roadside areas and rice-paddy soils. Subsequent physical and chemical weathering resulted in dispersal into the subsurface. The species identified in the contaminated areas included Zn-sulfide, Zn-carbonate, other O-coordinated Zn-minerals, and Zn species bound to Fe/Mn oxides or clays, as confirmed by XAFS spectroscopy and sequential extraction. The observed transformation from S-coordinated Zn to O-coordinated Zn associated with minerals suggests that this contaminant can change into more soluble and labile forms as a result of weathering. For the purpose of developing a soil washing remediation process, the contaminated samples were extracted with dilute acids. The extraction efficiency increased with the increase of O-coordinated Zn relative to S-coordinated Zn in the sediment. Furthermore, this study demonstrates that improved understanding of Zn speciation in contaminated soils is essential for well-informed decision making regarding metal mobility and toxicity, as well as for choosing an appropriate remediation strategy using soil washing.

54 ENVIRONMENTAL SCIENCES↗