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At least 919 records · Page 51

All sources NASA NTRS DOE OSTI

DOE OSTI2015

Scattering Studies on Poly(3,4-ethylenedioxythiophene)- Polystyrenesulfonate in the Presence of Ionic Liquids

The demand for lower cost and flexible electronics has driven industry to develop alternative transparent electrode (TE) materials to replace indium tin oxide (ITO). ITO is the benchmark TE on the market, but its high cost and low flexibility limit it for use in future technologies. Recent work has shown the combination of the conducting polymer poly(3,4-ethylenedioxythiophene)–polystyrenesulfonate (PEDOT:PSS) with the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate (EMIM:TCB) is a viable ITO replacement. This study investigates the nature of the interaction between PEDOT:PSS and EMIM:TCB in the solution state. A combination of scattering methods is used to illustrate a novel, multilength scale model of this system. At length scales larger than 300nm PEODT:PSS adopts a microgel-like structure, and below ~300nm the system adopts an entangled polyelectrolyte mesh structure. As EMIM:TCB is added, the microgel interior adopts a more neutral polymer mesh structure as EMIM:TCB concentration is increased.

36 MATERIALS SCIENCE↗

NASA NTRS2008

Synthesis and Compatibility of Ionic Liquid Containing Rod-Coil Polyimide Gel Electrolytes with Lithium Metal Electrodes

A highly cross-linked polyimide-polyethylene oxide copolymer has been synthesized that is capable of holding large volumes of liquid component, simultaneously maintaining good dimensional stability. An amine end capped oligomer was made that was imidized in solution, followed by reaction with a triisocyanate in the presence of desired additives at ambient temperature. Polymer films are able to hold over 4 times their weight in room temperature ionic liquid RTIL or carbonate solvent. Electrolytes were studied that contained varying amounts of RTIL, lithium trifluoromethanesulfonimide LiTFSi, and alumina nanoparticles. Electrochemical stability of these electrolytes with lithium metal electrodes was studied by galvanic cycling and impedance spectroscopy. Improved cycling stability and decreased interfacial resistance were observed when increasing amounts of RTIL and LiTFSi were added. The addition of small amounts of alumina further decreased interfacial resistance by nearly an order of magnitude. During the course of the study, cycling stability increased from less than 3 to greater than 1000 h at 60 C and 0.25 mA/cm2 current density.

Tigelaar, Dean M.↗

NASA NTRS2012

Metals and Oxygen Mining from Meteorites, Asteroids and Planets using Reusable Ionic Liquids

In order for humans to explore beyond Low Earth Orbit both safely and economically, it will be essential to learn how to make use of in situ materials and energy in an environment much different than on earth. Precursor robotic missions will be necessary to determine what resources will be available and to demonstrate the capabilities for their use. To that end, we have recently been studying acidic Ionic Liquid (IL) systems for use in a low temperature (< 200 C) process to solubilize regolith, and to extract, as water, the oxygen available in metal oxides. Using this method, we have solubilized lunar regolith simulant (JSC-1A), as well as extraterrestrial materials in the form of meteorites, and have extracted up to 80% of the available oxygen. Moreover, by using a hydrogen gas electrode, we have shown that the IL can be regenerated at the anode and metals (e.g. iron) can be plated onto the cathode. These results indicate that IL processing is an excellent candidate for extracting oxygen in situ, for life support and propulsion, and for extracting metals to be used as feedstock in fabrication processes. We have obtained small amounts of meteorite materials believed by meteoriticists to have originated from our moon, Mars, and the asteroid Vesta, and were able to solubilize those using acidic IL systems. From the Vesta meteorite, we were able to extract about 60% of the available oxygen as water. As far as is known, this is the first time that extraterrestrial/earth hybrid water has been obtained. NMR analysis provided proof that the liquid retrieved is indeed water. We have also been able to electro-plate nickel and iron contained in meteorite material. By varying voltage they can be plated separately (electro-winning), and we plan to soon have sufficient quantities to form usable parts utilizing the additive manufacturing process.

Karr, Laurel J.↗

DOE OSTI2016

Useful halophilic, thermostable and ionic liquids tolerant cellulases

The present invention provides for an isolated or recombinant polypeptide comprising an amino acid sequence having at least 70% identity with the amino acid sequence of a Halorhabdus utahensis cellulase, such as Hu-CBH1, wherein said amino acid sequence has a halophilic thermostable and/or thermophilic cellobiohydrolase (CBH) activity. In some embodiments, the polypeptide has a CBH activity that is resistant to up to about 20% of ionic liquids. The present invention also provides for compositions comprising and methods using the isolated or recombinant polypeptide.

09 BIOMASS FUELS↗

DOE OSTI2018

Methods of hydrolyzing a cellulose using halophilic, thermostable and ionic liquids tolerant cellulases

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

A Rechargeable Al/S Battery with an Ionic‐Liquid Electrolyte

Abstract Aluminum metal is a promising anode material for next generation rechargeable batteries owing to its abundance, potentially dendrite‐free deposition, and high capacity. The rechargeable aluminum/sulfur (Al/S) battery is of great interest owing to its high energy density (1340 Wh kg −1 ) and low cost. However, Al/S chemistry suffers poor reversibility owing to the difficulty of oxidizing AlS x . Herein, we demonstrate the first reversible Al/S battery in ionic‐liquid electrolyte with an activated carbon cloth/sulfur composite cathode. Electrochemical, spectroscopic, and microscopic results suggest that sulfur undergoes a solid‐state conversion reaction in the electrolyte. Kinetics analysis identifies that the slow solid‐state sulfur conversion reaction causes large voltage hysteresis and limits the energy efficiency of the system.

Gao, Tao↗

DOE OSTI2020

Capacitance of thin films containing polymerized ionic liquids

Electrode-polymer interfaces dictate many of the properties of thin films such as capacitance, the electric field experienced by polymers, and charge transport. However, structure and dynamics of charged polymers near electrodes remain poorly understood, especially in the high concentration limit representative of the melts. To develop an understanding of electric field–induced transformations of electrode-polymer interfaces, we have studied electrified interfaces of an imidazolium-based polymerized ionic liquid (PolyIL) using combinations of broadband dielectric spectroscopy, specular neutron reflectivity, and simulations based on the Rayleigh’s dissipation function formalism. Overall, we obtained the camel-shaped dependence of the capacitance on applied voltage, which originated from the responses of an adsorbed polymer layer to applied voltages. This work provides additional insights related to the effects of molecular weight in affecting structure and properties of electrode-polymer interfaces, which are essential for designing next-generation energy storage and harvesting devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Recent Advances in the Use of Ionic Liquids and Deep Eutectic Solvents for Lignocellulosic Biorefineries and Biobased Chemical and Material Production

Biorefineries, which process biomass feedstocks into valuable (bio)products, aim to replace fossil fuel-based refineries to produce energy and chemicals, reducing environmental and health hazards, including climate change, and supporting a sustainable economy. In particular, lignocellulose-based biorefineries, utilizing the most abundant renewable feedstock on Earth, have significant potential to supply sustainable energy, chemicals and materials. Ionic liquids (ILs, organic salts with low melting temperatures) and deep eutectic solvents (DESs, mixtures with eutectic points lower than the ideal mixture) are capable of dissolving some of the key lignocellulose polymers, and even the whole biomass. Furthermore, they have intrinsic advantages over molecular solvents, including safer usage profiles and high tunability, which allow tailored physicochemical properties. Such properties provide unique opportunities for the development of new processes that could unlock the full potential of future biorefineries. Here, we review the current state of lignocellulosic biomass processing with ILs and DESs, with a specific focus on the pretreatment chemistry, process flow and products from each component; followed by discussions on sustainability assessments and technological challenges. We aim to inform the research community about the opportunities, challenges and perspectives in developing truly sustainable lignocellulose-based biorefineries.

09 BIOMASS FUELS↗

DOE OSTI2024

Development of Mixed Matrix Membranes by Using NH 2 ‐Functionalized UiO‐66 and [APTMS][AC] Ionic Liquid for the Separation of CO 2

The ever‐escalating CO 2 concentration in the atmosphere calls for accelerated development and deployment of carbon capture processes to reduce emissions. Mixed matrix membranes (MMMs), which are fabricated by incorporating the beneficial properties of highly selective inorganic fillers into a polymer matrix, have exhibited significant progress and the ability to enhance the performance of a membrane for gas separation. In this research, an amine‐based ionic liquid (IL) [APTMS][AC] was prepared, which has greater CO 2 affinity and greater solubility due to its amine moiety. The metal–organic framework (MOF) UiO‐66 with a multidimensional crystalline structure was used as a filler due to its appropriate porosity and tunable properties, and it was functionalized with NH 2 . MOFs were further modified with an IL to prepare UiO‐66@IL and UiO‐66‐NH 2 @IL, and MMMs incorporating each MOF were fabricated with the polymer Pebax‐1657. All the prepared membranes and MOFs were characterized to predict their separation efficiency. Several characterization techniques, namely, FTIR spectroscopy, XRD, and SEM, were used to successfully synthesize UiO‐66@IL and UiO‐66‐NH 2 @IL composites and confirmed proper dispersion and excellent polymer‒filler compatibility at filler loadings ranging from 0 to 30 wt.%. The separation performances were investigated, and the results showed that the incorporation of RTIL with the highly crystalline structure and large surface area of UiO‐66 enhanced the separation efficiency of the membrane. The permeability of CO 2 for all fabricated membranes continuously increased with increasing filler concentration, wherein the permeability was comparatively high for the UiO‐66‐NH 2 MMMs. The CO 2 /CH 4 selectivity improved by 35%, 54%, and 60%, respectively, for UiO‐66@IL, UiO‐66‐NH 2 , and UiO‐66‐NH 2 @IL MMMs compared to simple UiO‐66 for CO 2 /CH 4 and by 28%, 36%, and 63%, respectively, for CO 2 /N 2 , with an increase in filler loading in the MMMs.

Khalid, Hafiza Mamoona (ORCID:0009000135165855)↗

DOE OSTI2016

Physical Chemistry of Reaction Dynamics in Ionic Liquids

The Margulis group BES funded research at the University of Iowa is part of a broader collaborative effort that includes the groups of Blank (U. Minnesota), Castner (Rutgers U.), Maroncelli (Penn. State U.) and Wishart (BNL). The goal of this group of PIs is to better understand from an experimental and a theoretical perspective different aspects of photo-initiated electron transfer processes in a set of different room-temperature ionic-liquid systems. The Margulis contribution is theoretical and computational. Details are presented in the attached documentation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Controlled Design of Phase- and Size-Tunable Monodisperse Ni 2 P Nanoparticles in a Phosphonium-Based Ionic Liquid through Response Surface Methodology

Nanoparticles of nickel phosphide are finding wide ranging utility as catalysts for hydrodesulfurization, hydrogen evolution reaction, and hydrodeoxygenation of bio-oils. Herein, we present a methodology to tailor monodisperse nickel phosphide nanoparticles in terms of size and phase through the use of a statistical response surface methodology. Colloidal nickel phosphide nanoparticles were synthesized by replacing octadecene (ODE), a commonly used organic solvent, by a more sustainable phosphonium-based ionic liquid (IL). The replacement of ODE with the phosphonium-based IL resulted in faster crystallization at lower temperatures to yield phase-pure, monodisperse Ni2P nanoparticles. Using a first-order design, the PPh3/Ni precursor ratio was identified as the most critical factor influencing the resulting size and phase of the nanoparticles. Optimization using a Doehlert matrix for second-order design yielded a second-degree polynomial equation used to predict the mean diameter of the nanoparticles (over a range of 4-12 nm) as a function of the PPh3/Ni precursor ratio and the temperature used during synthesis. The resulting model was validated by performing reactions using randomly chosen sets of conditions; the experimentally determined nanoparticle sizes were in excellent agreement with the theoretical sizes predicted by our model. This demonstrates the utility of a multivariate experimental design as a powerful tool in the development of synthetic strategies toward the preparation of colloidal nanoparticles with highly controlled size, size distribution, and phase.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Selective separation of americium from europium using 2,9-bis(triazine)-1,10-phenanthrolines in ionic liquids: a new twist on an old story

Bis-triazine phenanthrolines have shown great promise for f-block metal separations, attributable to their highly preorganized structure, nitrogen donors, and more enhanced covalent bonding with actinides over lanthanides. However, their limited solubility in traditional solvents remains a technological bottleneck. Here in this paper we report our recent work using a simple 2,9-bis(triazine)-1,10-phenanthroline (Me-BTPhen) dissolved in an ionic liquid (IL), demonstrating the efficacy of IL extraction systems for the selective separation of americium from europium, achieving separation factors in excess of 7500 and selectively removing up to 99% of the americium. Characterization of the coordination environment was performed using a combination of X-ray absorption fine structure spectroscopy (XAFS) and density functional theory (DFT) calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Ionic Liquid Facilitated Solvent‐Phase Polymerization of Ultrasmooth Coatings of Polycatecholamines

Mussel-inspired polycatecholamine coatings and films have proven to be versatile materials for surface modification. However, the progress of chemically modified coatings with tailored properties has been slow due to the lack of definitive evidence of their polymeric structure. Polycatecholamines form aggregates during polymerization, and their formation mechanism has been a subject of debate owing to their insolubility in traditional molecular solvents. Exploiting the capability of ionic liquids (ILs) to exhibit strong electrostatic interactions, herein, the first solution-phase polymerization approach is reported to achieve polymerization of four catecholamines – dopamine (DA), norepinephrine (NE), L-3,4-dihydroxyphenylalanine (L-DOPA), and adrenaline (AD). Kinetic control over the polymerization process in the solution phase enabled it to follow the process with 1 H NMR spectroscopy, revealing the formation of structural features of resulting complex heterogeneous and soluble polymers. The polymers are both covalent and associative in nature. Solution phase polymerization prevented the formation of large aggregates in the solution, thus facilitating the formation of coatings that are ultra-smooth and have root mean square roughness of the order of sub-nm to nm scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Understanding Gas Solubility of Pure Component and Binary Mixtures within Multivalent Ionic Liquids from Molecular Simulations

Understanding the molecular-level solubility of CO 2 and its mixtures is essential to the progress of gas treating technologies. Herein, we use grand canonical Monte Carlo simulations to study the single component gas absorption of SO 2 , N 2 , CH 4 , and H 2 , and binary mixtures of CO 2 /SO 2 , CO 2 /N 2 , CO 2 /CH 4 , and CO 2 /H 2 of varying mole fractions within multivalent ionic liquids (ILs). Our results highlight the importance of the free volume effect and the anion effect when interpreting the absorption behavior of these mixtures, similar to the behavior of CO 2 found in our previous study. The deviation of the gas solubility between the pure component absorption versus the binary absorption, as well as the solubility selectivity, highlight the importance of the relative affinity of gas species within a mixture to the different anions. Further, the absorption selectivity within a specific IL system can be predicted based on the relative gas affinity to the anion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Solvents Polarity Governs Ion Interactions and Transport in a Solvated Room Temperature Ionic Liquid

We explore the influence of the solvent dipole moment on cation anion interactions and transport in 1-butyl-3-methyl-imidazolium bis-(trifluoromethylsulfonyl), [BMIM+][Tf2N ]. Free energy profiles derived from atomistic molecular dynamics (MD) simulations show a correlation of the cation anion separation and the equilibrium depth of the potential of mean force with the dipole moment of the solvent. Correlations of the ion diffusivity with the dipole moment and the concentration of the solvent were further demonstrated by classical MD simulations. Quasi-elastic neutron scattering experiments with deuterated solvents reveal a complex picture of nanophase separation into the ionic liquid-rich and solvent-rich phases. The experiment corroborates the trend of concentration- and dipole moment-dependent enhancement of ion mobility by the solvent, as suggested by the simulations. Despite the considerable structural complexity of ionic liquid solvent mixtures, we can rationalize and generalize the trends governing ionic transport in these complex electrolytes.

Osti, Naresh C↗

DOE OSTI2025

Pressure-stable supported ionic liquid membranes using isoporous supports for evaluating pure- and mixed-gas light paraffin fractionation

Advances in horizontal drilling and hydraulic fracturing have spurred the growth of domestic U.S. energy production. Membranes, typically silicone rubbers, have found utility in shale gas treatment as fuel gas conditioning units to selectively remove C 2 + hydrocarbons at pressures up to 30 bar, producing clean CH 4 for gas engines. However, more selective materials could be beneficial for broader shale gas treatment applications, such as dew point control units. Supported ionic liquid membranes (SILMs) offer a potential opportunity for improving C 3 H 8 /CH 4 selectivity, but they lack pressure-stability. Here, we report C 3 H 8 /CH 4 selective and pressure-stable SILMs using isoporous supports. SILMs with supports that had minimal defects remained stable up to 15 bar of transmembrane pressure. This stability allowed for pure- and mixed-gas testing of the resulting membranes at elevated pressures. Furthermore, these tests revealed that low viscosity ILs (<100 cp) may display mixed-gas permeances and permselectivity nearly identical to pure-gas results. On the other hand, higher viscosity ILs may display increasing permeances and permselectivity with increasing C 3 H 8 fugacity, similar to rubbery polymers. Ultimately, the SILMs demonstrated relatively high pressure-stability due to the isoporous supports and competitive mixed-gas C 3 H 8 /CH 4 permselectivity compared to silicone rubber.

Rosenthal, Justin J. [University of Texas at Austi↗

DOE OSTI2025

In situ synchrotron x-ray studies of epitaxial SrCoO x films during ionic liquid gating

The manipulation of ions in complex oxide materials can be used to mimic brain-like plasticity through changes to the resistivity of a neuromorphic device. Advances in the design of more energy efficient devices require improved understanding of how ions migrate within a material and across its interface. We investigate the exchange of oxygen and hydrogen in a model SrCoO x epitaxial film—a material that transitions between a ferromagnetic metal and antiferromagnetic insulator depending on the oxygen concentration. Changes to the film during ionic liquid gating were measured by in situ synchrotron x-ray techniques as a function of time and gate voltage, examining the reversibility of the oxide over one complete gating cycle. We find that the out-of-plane lattice constant and oxygen vacancy concentration of SrCoO x are largely reversible although changes were observed in the ordered vacancy structure. Our results provide much needed insight into electrolyte-gated phase behavior in the transition metal oxides.

Li, Yan [Argonne National Laboratory (ANL), Argonn↗

DOE OSTI2018

The ionic liquid 1-octyl-3-methylimidazolium (M8OI) is an activator of the human estrogen receptor alpha

Highlights: • M8OI activates the human ERα and induces TFF1 in MCF7 cells. • M8OI is a super-activator of the mouse ERβ variant 2 receptor. • M8OI does not activate the human ERβ. Recent environmental sampling around a landfill site in the UK demonstrated that unidentified xenoestrogens were present at higher levels than control sites; that these xenoestrogens were capable of super-activating (resisting ligand-dependent antagonism) the murine variant 2 ERβ and that the ionic liquid 1-octyl-3-methylimidazolium chloride (M8OI) was present in some samples. To determine whether M8OI was a contributor to the xenoestrogen pool in the soils, activation of human estrogen receptors by M8OI was examined. M8OI activated the human ERα in MCF7 cells in a dose-response manner. These effects were inhibited by the ER antagonist ICI182780; occurred in the absence of any metabolism of M8OI and were confirmed on examination of ER-dependent induction of trefoil factor 1 mRNA in MCF7 cells. M8OI also super-activated the murine variant 2 ERβ in a murine hepatopancreatobiliary cell line. The human ERβ was not activated by M8OI when expressed in HEK293 cells. These data demonstrate that M8OI is a xenoestrogen capable of activating the human ERα and super-activating the murine variant 2 ERβ.

60 APPLIED LIFE SCIENCES↗