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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.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Theory-guided experimental design in battery materials research

A reliable energy storage ecosystem is imperative for a renewable energy future, and continued research is needed to develop promising rechargeable battery chemistries. To this end, better theoretical and experimental understanding of electrochemical mechanisms and structure-property relationships will allow us to accelerate the development of safer batteries with higher energy densities and longer lifetimes. This Review discusses the interplay between theory and experiment in battery materials research, enabling us to not only uncover hitherto unknown mechanisms but also rationally design more promising electrode and electrolyte materials. We examine specific case studies of theory-guided experimental design in lithium-ion, lithium-metal, sodium-metal, and all-solid-state batteries. We also offer insights into how this framework can be extended to multivalent batteries. To close the loop, we outline recent efforts in coupling machine learning with high-throughput computations and experiments. Last, recommendations for effective collaboration between theorists and experimentalists are provided.

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

Adverse Effects of Trace Non-polar Binder on Ion Transport in Free-standing Sulfide Solid Electrolyte Separators

Sulfide solid-state electrolyte (SE) possesses high room-temperature ionic conductivity. However, fabrication of the free-standing, sheet-type thin sulfide SE film electrolyte to enable all-solid-state batteries to deliver high energy and power density remains challenging. Herein we show that argyrodite sulfide (Li 6 PS 5 Cl) SE can be slurry cast to form free-standing films with low (≤5 wt%) loadings of poly(isobutylene) (PIB) binder. Two factors contribute to a lower areal specific resistance (ASR) of the thin film SEs benchmarked to the pristine powder pellet SSE counterparts: i) 1–2 orders reduced thickness and ii) reasonably comparable ionic conductivity at room temperature after the isostatic pressing process. Nevertheless, an increasing polymer binder loading inevitably introduced voids in the thin film SEs, compromising anode/electrolyte interfacial ion transport. Our findings highlight that electrolyte/electrode interfacial stability, as well as the selection of slurry components, including sulfide SE, binder, and solvent, play essential roles in thin film sulfide electrolyte development.

25 ENERGY STORAGE↗
DOE OSTI2026

Understanding the speciation of molten iodide salts via spectro-electrochemistry

Iodine is a high yield fission product of concern for the environmental effects due to its high volatility and biological impacts to the human body. Iodine speciation in molten salts, specifically iodide salts, is not well understood due to its reactivity at higher temperature domains. UV-Vis spectroscopy indicates a change in the speciation of the molten iodide salts starting at 500oC based on the decomposition of the salt itself, forming I3- ions. This work investigated the spectral changes of I- ions in molten LiI-KI and LiI-KI-NiI2 while manipulating the salts electrochemically using an inert graphite electrode at 400oC.The Li+/Li(s) and the Ni2+/Ni(s) transitions were studied using cyclic voltammetry, chronoamperometry/chronopotentiometry to characterize the respective reduction-oxidation waves. As cyclic voltammetry was applied, the UV-Vis spectroscopy showed a change in the characteristic signal of molten LiI-KI, indicating a disproportionation reaction in the molten salt, leading to formation of I3- ions and I2 gas.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

Effect of particle size on thermodynamics and lithium ion transport in electrodes made of Ti 2 Nb 2 O 9 microparticles or nanoparticles

This study compares the charging mechanisms, thermodynamics, lithium ion transport, and operando isothermal calorimetry in lithium-ion battery electrodes made of Ti 2 Nb 2 O 9 microparticles or nanoparticles synthesized by solid-state or sol-gel methods, respectively. First, electrochemical testing showed that electrodes made of Ti 2 Nb 2 O 9 nanoparticles exhibited larger specific capacity, smaller polarization, and better capacity retention at large currents than those made of Ti 2 Nb 2 O 9 microparticles. Furthermore, potentiometric entropy measurements revealed that electrodes made of either Ti 2 Nb 2 O 9 microparticles or nanoparticles showed similar thermodynamics behavior governed by lithium intercalation in solid solution, as confirmed by in situ XRD measurements. However, electrodes made of Ti 2 Nb 2 O 9 nanoparticles featured smaller overpotential and faster lithium ion transport than those made of Ti 2 Nb 2 O 9 microparticles. In fact, operando isothermal calorimetry revealed smaller instantaneous and time-averaged irreversible heat generation rates at electrodes made of Ti 2 Nb 2 O 9 nanoparticles, highlighting their smaller resistive losses and larger electrical conductivity. Finally, the measured total heat generation over a charging/discharging cycle matched the measured net electrical energy loss. Overall, Ti 2 Nb 2 O 9 nanoparticles synthesized by the novel sol-gel method displayed excellent cycling performance and reduced heat generation as a fast-charging lithium-ion battery anode material. These features present major advantages for actual battery systems including larger energy and power densities, simpler thermal management, and enhanced safety.

25 ENERGY STORAGE↗
DOE OSTI2025

First-principles elucidation of defect-mediated Li transport in hexagonal boron nitride

Hexagonal boron nitride (hBN) is a promising candidate as a protective membrane or separator in Li-ion and Li–S batteries, given its excellent chemical stability, mechanical robustness, and high thermal conductivity. In addition, hBN can be functionalized by introducing defects and dopants, or be directly integrated into other active components of batteries, which further augments its appeal to the field. Here, we use first-principles simulations to evaluate the role of atomic defects in hBN in regulating the Li-ion diffusion mechanism and associated kinetics. Specifically, the following four distinct types of vacancy defects are considered: isolated single B and N vacancies, a B–N vacancy pair, and a B 3 N vacancy cluster. It is found that these defect sites generally favor Li intercalation and out-of-plane diffusion but slow down in-plane Li-ion diffusion due to a strong Li trapping effect at the defect sites. Such a trapping effect is, however, highly local such that it does not necessarily affect the overall Li-ion conductivity in defected hBN layers. The present systematic evaluation of the impact of atomic defects on Li ion migration and accompanied charge analysis of hBN lattice in response to Li-ion diffusion provide a mechanistic understanding of Li-ion transport behavior in defected hBN and highlight the potential of defect engineering to achieve optimal material performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Predictive modeling of NSTX discharges with the updated multi-mode anomalous transport module

Abstract The objective of this study is twofold: firstly, to demonstrate the consistency between the anomalous transport results produced by updated Multi-Mode Model (MMM) version 9.0.4 and those obtained through gyrokinetic simulations; and secondly, to showcase MMM’s ability to predict electron and ion temperature profiles in low aspect ratio, high beta NSTX discharges. MMM encompasses a range of transport mechanisms driven by electron and ion temperature gradients, trapped electrons, kinetic ballooning, peeling, microtearing, and drift resistive inertial ballooning modes. These modes within MMM are being verified through corresponding gyrokinetic results. The modes that potentially contribute to ion thermal transport are stable in MMM, aligning with both experimental data and findings from linear CGYRO simulations. The isotope effects on these modes are also studied and higher mass is found to be stabilizing, consistent with the experimental trend. The electron thermal power across the flux surface is computed within MMM and compared to experimental measurements and nonlinear CGYRO simulation results. Specifically, the electron temperature gradient modes (ETGM) within MMM account for 2.0 MW of thermal power, consistent with experimental findings. It is noteworthy that the ETGM model requires approximately 5.0 ms of computation time on a standard desktop, while nonlinear CGYRO simulations necessitate 8.0 h on 8 K cores. MMM proves to be highly computationally efficient, a crucial attribute for various applications, including real-time control, tokamak scenario optimization, and uncertainty quantification of experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Widely spaced planes of magnetic dimers in the Ba 6 Y 2 Rh 2 Ti 2 O 17-δ hexagonal perovskite

In this work, we report the synthesis and initial characterization of Ba 6 Y 2 Rh 2 Ti 2 O 17-δ , a previously unreported material, to the best of our knowledge, with a hexagonal symmetry structure. Face-sharing RhO 6 octahedra form triangular planes of Rh 2 O 9 dimers that are widely separated in the perpendicular direction. The material displays a small effective magnetic moment, due to the Rh ions present, and a negative Curie-Weiss temperature. The charge transport and optical band gaps are very similar, near 0.16 eV. A large upturn in the heat capacity at temperatures below 1 K, suppressed by applied magnetic fields larger than μ 0 H = 2T, is observed. A large T-linear term in the specific heat (γ = 166 mJ/mol f.u-K 2 ) is seen, although the material is insulating at low temperatures. These results suggest the possibility of a spin liquid ground state in this material.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Disentangling cation effects on ion mobility and structure in ionic liquid electrolytes

Ionic liquids (ILs) are low-temperature molten salts, where ion transport is primarily governed by ion–ion interactions. Yet, the impact of organic IL cations on critical electrolyte properties such as ion dissociation and overall transport behavior in lithium-salt-doped ILs remains poorly understood. Moreover, despite their critical role in designing IL-based electrolytes for energy storage applications, ion–ion interactions and ion-specific transport under an applied electrical potential are seldom quantified, largely due to the unique experimental and computational challenges involved. Herein, we compare transport properties obtained using 1 H, 7 Li, and 19 F pulsed-field gradient nuclear magnetic resonance (NMR) and electrophoretic NMR (eNMR) with those measured by electrochemical impedance spectroscopy. Non-equilibrium molecular dynamics (MD) simulations and eNMR confirm the presence of negatively charged [Li(TFSI) n ] (1−n) aggregates that migrate towards the positive electrode, resulting in negative lithium transference numbers. Equilibrium MD simulations reveal a vehicular Li ion transport mechanism facilitated by long-lived aggregates with Li + cations strongly bound to multiple TFSI − anions. Finally, we observe an inverse relationship between the apparent charge of the TFSI − anion in the neat IL, which is dictated by the IL cation, and Li + transport in the salt-doped systems. This highlights the opportunity to tune electrolyte performance by tailoring cation chemistry.

Li-ion batteries↗
DOE OSTI2023

Spatial Effect on the Performance of Carboxylate Anode Materials in Na-Ion Batteries

Developing low-voltage carboxylate anode materials is critical for achieving low-cost, high-performance, and sustainable Na-ion batteries (NIBs). However, the structure design rationale and structure-performance correlation for organic carboxylates in NIBs remains elusive. Herein, the spatial effect on the performance of carboxylate anode materials is studied by introducing heteroatoms in the conjugation structure and manipulating the positions of carboxylate groups in the aromatic rings. Planar and twisted organic carboxylates are designed and synthesized to gain insight into the impact of geometric structures to the electrochemical performance of carboxylate anodes in NIBs. Among the carboxylates, disodium 2,2’-bipyridine-5,5’-dicarboxylate (2255-Na) with a planar structure outperforms the others in terms of highest specific capacity (210 mAh g -1 ), longest cycle life (2000 cycles), and best rate capability (up to 5 A g -1 ). Further, the cyclic stability and redox mechanism of 2255-Na in NIBs are exploited by various characterization techniques. Moreover, high-temperature (up to 100 °C) and all-organic batteries based on a 2255-Na anode, a polyaniline (PANI) cathode, and an ether-based electrolyte are achieved and exhibited exceptional electrochemical performance. Therefore, this work demonstrates that designing organic carboxylates with extended planar conjugation structures is an effective strategy to achieve high-performance and sustainable NIBs.

25 ENERGY STORAGE↗
DOE OSTI2023

Sulfur Polymers as Flexible Interfacial Additives for Low Stack-Pressure Solid-State Lithium-Ion Batteries

Solid-state batteries (SSBs) fabricated using sulfide solid electrolytes (SSEs) typically require cell stack-pressures in the range of tens to hundreds of megapascals to maintain effective interfacial contact and lithium-ion mobility across the full cell stack. These relatively high cell stack-pressures necessarily require additional cell components that reduce the delivered volumetric and gravimetric capacities of SSBs. This work has developed a novel sulfur polymer (polyS) that improves lithium-ion conductivity in SSBs at low cell stack-pressures, thereby directly targeting this technological limitation. Specifically, this work shows that polyS can be combined with the argyrodite Li6PS5Cl (LPSC) to form a stable composite SSE. By combining LPSC particles with a flexible additive that enhances interfacial contact at low pressures, this new polyS LPSC composite SSE material greatly improves ionic conductivity at cell stack-pressures below 2.0 MPa in comparison to conventional LPSC composites. Furthermore, this polyS LPSC composite can be used to fabricate a full SSB that cycles reversibly at only 1.6 MPa. Finally, this composite SSE exhibits self-healing behavior when combined with a lithium metal electrode, wherein lithium dendrites are oxidized to form passivating Li2S species that recover the cell from shorting.

ENERGY STORAGE↗
DOE OSTI2021

Exploring the Ion Solvation Environments in Solid-State Polymer Electrolytes through Free-Energy Sampling

The success of poly(ethylene oxide) (PEO) in solid-state polymer electrolytes for lithium-ion batteries is well established. Recently, in order to understand this success and to explore possible alternatives, we studied polyacetal electrolytes to deepen the understanding of the effect of the local chemical structure on ion transport. Advanced molecular dynamics techniques using newly developed, tailored interaction potentials have helped elucidate the various coordination environments of ions in these systems. In particular, the competition between cation-Anion pairing and coordination by the polymer has been explored using free-energy sampling (metadynamics). At equivalent reduced temperatures, with respect to the polymer-specific glass-Transition temperature, two-dimensional free-energy plots reveal the existence of multiple coordination environments for the lithium (Li) ions in these systems and their relative stabilities. Furthermore, we observe that the Li-ion movement in PEO follows a serial, stepwise pathway when moving from one coordination state to another, whereas this happens in a more continuous and concerted fashion in a polyacetal such as poly(1,3-dioxalane) [P(EO-MO)]. The implication is that interconversion between coordination states of the Li ions may be easier in P(EO-MO). However, the overarching observation from our free-energy analysis is that Li-ion coordination is dominated by the polymer (in either case) and contact-ion pairs are rare. We rationalize the observed higher increase in glass-Transition temperature (Tg) with salt loading in polyacetals as due to intermolecular Li-ion coordination involving multiple polymer chains, rather than just one chain for PEO-based electrolytes. This interchain coupling in the polyacetals, resulting in the higher Tg, works against any gains due to variations in Li-ion coordination that might enhance transport processes over PEO. Further research is required to overcome the interdependence between local coordination and macroscopic properties to compete with PEO electrolytes at the same absolute working temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Temperature-induced valence-state transition in double perovskite Ba 2 - x Sr x TbIrO 6

In this paper, a temperature-induced valence-state transition is studied in a narrow composition range 0.2 ≤ x ≤ 0.375 of Ba 2 - x Sr x TbIrO 6 by means of x-ray and neutron powder diffraction, resonant inelastic x-ray scattering, magnetic susceptibility, electrical resistivity, and specific heat measurements. The valence-state transition involves an electron transfer between Tb and Ir leading to the valence-state change between Tb 3 + / Ir 5 + and Tb 4 + / Ir 4 + phases. This first-order transition has a dramatic effect on the lattice, transport properties, and the long-range magnetic order at low temperatures for both Tb and Ir ions. Ir 5 + ion has an electronic configuration of 5 d 4 ( J eff = 0 ), which is expected to be nonmagnetic. In contrast, Ir 4 + ion with a configuration of 5 d 5 ( J eff = 1/2) favors a long-range magnetic order. For x = 0.1 with Tb 3 + / Ir 5 + configuration to the lowest temperature (2 K) investigated in this paper, a spin-glass behavior is observed around 5 K indicating Ir 5 + ( J eff = 0 ) ions act as a spacer reducing the magnetic interactions between Tb 3 + ions. For x = 0.5 with Tb 4 + / Ir 4 + configuration below the highest temperature 400 K of this paper, a long-range antiferromagnetic order at T N = 40 K is observed highlighting the importance of Ir 4 + ( J eff = 1/2) ions in promoting the long-range magnetic order of both Tb and Ir ions. For 0.2 ≤ x ≤ 0.375, a temperature-induced valence-state transition from high-temperature Tb 3 + / Ir 5 + phase to low-temperature Tb 4 + / Ir 4 + phase occurs in the temperature range 180 K ≤ T ≤ 325 K and the transition temperature increases with x . The compositional dependence demonstrates the ability to tune the the valence state for a critical region of x that leads to a concurrent change in magnetism and structure. Furthermore, this tuning ability could be employed with suitable strain in thin films to act as a switch as the magnetism is manipulated.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Redox effects on the structure and properties of Na-Mo-Fe-phosphate glasses

Na-Mo-Fe-phosphate glasses were prepared with reducing and oxidizing raw materials and the effects of the different Fe 2+ /Fe 3+ and Mo 5+ /Mo 6+ ratios on glass structure and properties were determined. Mssbauer spectroscopy confirms significantly greater concentrations of Fe 2+ ions in the reduced glasses and distorted Fe 3+ O 4 sites preferred over the Fe 3+ O 6 sites in the oxidized glasses. Raman spectroscopy reveals the presence of isolated Mo 6+ O 6 sites in the oxidized glasses, and highly distorted Mo 5+ O 5 sites in reduced Mo-rich glasses. The presence of specific Fe- and Mo-polyhedra is correlated with the average phosphate anion length, as characterized by high-pressure liquid chromatography. Generally, for the similar compositions, oxidized glasses have greater molar volumes than the reduced glasses, associated with the formation of isolated Mo 6+ O 6 octahedra and the absence of highly crosslinked Mo 5+ OPO 4 units. Tg increases with increasing Fe 3+ fractions in the Fe-rich glasses, whereas for the Mo-rich glasses, T g increases with greater Mo 5+ fractions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Effects of gas purity on backgrounds of collision reaction cell-equipped MC-ICP-MS

The advent of multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) instruments equipped with collision reaction cells (CRCs) facilitates interference removal/mitigation via online gas phase separations. This approach has proven effective for high intensity ion beams measured on Faraday collectors; however, it has been observed that introduction of gas in the CRC can result in significant background signals relative to the more sensitive ion counters. These backgrounds hinder use of these instruments for low level concentration and isotopic ratio measurements when employing a reaction gas. Here, this work directly evaluates the effect of gas purity on backgrounds of CRC-MC-ICP-MS instruments. Introducing high-purity research grade O 2 (99.999%) into the CRC produces complex background spectra with intensities >10 4 cps observed at most masses across the measured mass range (7-300 m / z ). Some features of the observed spectra (i.e., positive mass defects) can be attributed to molecular compounds comprised of significant hydrogen. Additionally, some specific molecular species can be identified (i.e., MoO x H y + ) and appear to be derived from molybdenum rods comprising the CRC. Further purifying the gas reduces the intensity of these backgrounds by several orders of magnitude, to <10 2 cps in many cases, and reduces complexity of the resulting spectra. This reduction in background appears to be in part driven by removal of impurities (i.e., H 2 O) from the gas. This work demonstrates that additional purification of reaction gases prior to introduction into the CRC significantly reduces backgrounds detected, potentially expanding the utility of CRC-MC-ICP-MS for making low level measurements using inline gas phase ion separations.

Schlieder, Tyler D. [Pacific Northwest National La↗
DOE OSTI2025

Energetic and structural control of polyspecificity in a multidrug transporter

Multidrug efflux pumps are dynamic molecular machines that drive antibiotic resistance by harnessing ion gradients to export chemically diverse substrates. Despite their clinical importance, the molecular principles underlying multidrug promiscuity and energy efficiency remain poorly understood. Using multiparametric deep mutational scanning across eight substrates and two energy conditions, we deconvolute the contributions of substrate recognition, energetic coupling, and protein stability, providing an integrated, high-resolution view of multidrug transport. We find that substrate specificity arises from a distributed network of residues extending beyond the binding site, with mutations that reshape binding, coupling, conformational flexibility, and membrane interactions. Further, we apply a pH-based selection scheme to measure the effect of mutation on pH-dependent transport efficiency. By integrating these data, we reveal a fundamental relationship between efficiency and promiscuity: Highly efficient variants exhibit broad substrate profiles, while inefficient variants are narrower. In conclusion, these findings establish a direct link between energy coupling and polyspecificity, uncovering the biochemical logic underlying multidrug transport.

Biological Sciences↗
DOE OSTI2025

The Anisotropic Adsorption of De Novo Allosteric Two‐Component Protein Fibers on Mica Surfaces

Protein adsorption at solid–liquid interfaces underlies many biomedical and materials applications, yet the mechanisms governing adsorption of proteins and their assemblies remain poorly understood. Here we investigate de novo–designed proteins that self-assemble into three fibrillar morphologies — small (S), large (L), and helical (H)—on muscovite mica. S-fibers are metastable, forming first but diminishing as L- and H-fibers develop and deposit. Adsorption of both fibers and monomers depends on fiber morphology and solvent environment, which is modulated by the substrate. The anisotropic surface features of the fiber types—long axis of S- and L-fibers and helical grooves of H-fibers—correlate with specific crystallographic directions on mica (001). S- and L-fibers align along the unique lattice axis, while the substrate-facing groove of H-fibers preferentially aligns along the remaining symmetry-related directions. Increasing potassium chloride (KCl) concentrations to molar levels alters adsorption, decreasing monomer coverage relative to fibers. These observations, interpreted through the effect of interfacial interface, indicate that ion-mediated modulation of hydration layers governs electrostatic interactions and alignment. This study reveals how coupling between protein topography, substrate crystallography, and hydration structure dictates selective adsorption and orientation of protein assemblies, offering insights for rational biomolecular material design.

AFM↗
DOE OSTI2020

Quantum prediction of ultra-low thermal conductivity in lithium intercalation materials

Lithium-intercalated layered transition-metal oxides, Li x TMO 2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a type of device for future neural computing and on-chip storage. Thermal transport properties, although being a crucial element in limiting the charging/discharging rate, package density, energy efficiency, and safety of batteries as well as the controllability and energy consumption of memristors, are poorly managed or even understood yet. Here, for the first time, we employ quantum calculations including high-order lattice anharmonicity and find that the thermal conductivity κ of Li x TMO 2 materials is significantly lower than hitherto believed. More specifically, the theoretical upper limit of κ of LiCoO 2 is 6 W/m-K, 2–6 times lower than the prior theoretical predictions. Delithiation further reduces κ by 40–70% for LiCoO 2 and LiNbO 2 . Grain boundaries, strain, and porosity are yet additional causes of thermal-conductivity reduction, while Li-ion diffusion and electrical transport are found to have only a minor effect on phonon thermal transport. The results elucidate several long-standing issues regarding the thermal transport in lithium-intercalated materials and provide guidance toward designing high-energy-density batteries and controllable memristors.

25 ENERGY STORAGE↗
DOE OSTI2023

Conclusions from 3 years of continuous capture plant operation without exchange of the AMP/PZ-based solvent at Niederaussem – insights into solvent degradation management

A many times heard mantra of solvent degradation management in amine-based post combustion capture is “keep the solvent clean” to minimize solvent consumption. It is assumed that the amine losses would decrease by the removal of metals, degradation products, and reactive trace components which are captured from the flue gas, like NO 2 (as potentially driving components of the amine degradation besides dissolved O 2 ). However, this theoretical hypothesis – based on results from laboratory experiments typically generated with fresh amines – disregards the complexity of the solvent matrix, interaction of potential metal catalysts with degradation products and oxidizing agents, and specific chemical requirements which must be fulfilled before a degradation mechanism can proceed. Degradation of the solvent CESAR1 (aqueous solution of 3.0 molar 2-amino-2-methylpropan-1-ol (AMP) and 1.5 molar piperazine (PZ)) is investigated in a unique long-time test campaign (testing time up to now 40 months; 24/7 operation) without replacement of the solvent inventory at the capture pilot plant at the lignite-fired power plant in Niederaussem. Three solvent management strategies with different effect mechanisms are investigated and evaluated: (a) removal of only anionic compounds and trace elements (within 75 days solvent inventory treated two times) and anionic as well as cationic compounds and trace elements (114 days, inventory treated four times) from the solvent by ion exchange, (b) adsorptive removal of trace elements from the solvent by active carbon in 35% of the operating time, and (c) removal of >80% NO 2 by flue gas pretreatment with thiosulfate/sulfite solution (dosing for 2,000 h). The results of the testing program clearly show that “solvent cleanliness” is not a well-defined parameter and that results from laboratory tests, tests without fully representative industrial flue gasses, and short-term testing of monoethanolamine cannot be generalized for other solvents and industrial application. Furthermore, these results showcase that specific degradation management considering solvent, capture plant and flue gas quality is reasonable. Overshooting efforts for solvent management are contra-productive and produce unnecessary waste streams, efficiency losses and costs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗