A5003053406- Ionic liquids properties and applications
- CO2 Reduction Techniques and Catalysts
- Electrochemical Analysis and Applications
- Carbon Dioxide Capture Technologies
- Advanced Battery Materials and Technologies
- Advanced battery technologies research
- Phase Equilibria and Thermodynamics
- Carbon dioxide utilization in catalysis
- Chemical and Physical Properties in Aqueous Solutions
- Conducting polymers and applications
- Advancements in Battery Materials
- Catalysis and Oxidation Reactions
- Membrane Separation and Gas Transport
- Thermodynamic properties of mixtures
- Mesoporous Materials and Catalysis
- Electrocatalysts for Energy Conversion
- Analytical Chemistry and Sensors
- Crystallization and Solubility Studies
- Supercapacitor Materials and Fabrication
- Polyoxometalates: Synthesis and Applications
- Extraction and Separation Processes
- Fuel Cells and Related Materials
- Advanced Chemical Sensor Technologies
- Gas Sensing Nanomaterials and Sensors
- Chemical Looping and Thermochemical Processes
Case Western Reserve University
2017-2025
University of Akron
2016-2017
Massachusetts Institute of Technology
2014-2015
University of Notre Dame
2009-2013
Amino acid ionic liquid trihexyl(tetradecyl)phosphonium methioninate [P66614][Met] and prolinate [P66614][Pro] absorb CO2 in nearly 1:1 stoichiometry, surpassing by up to a factor of 2 the capture efficiency previously reported aqueous amine absorbants for CO2. Room temperature isotherms are obtained barometric measurements an accurately calibrated stirred cell, product identity is confirmed using situ IR. Density functional theory (DFT) calculations support reaction stoichiometry predict...
Ionic liquids, especially those functionalized with amine groups, show significant potential for a wide variety of CO2 separations, including postcombustion capture. By tethering the to anion, stoichiometry reaction can be doubled from one every two amines (as is case aqueous monoethanolamine) each amine. Moreover, enthalpy actively tuned by design adjusting capacity and regeneration energy. In addition, ILs used without added water, further reducing parasitic energy required removal flue gas.
The discovery of materials that combine selectively, controllably, and reversibly with CO2 is a key challenge for realizing practical carbon capture from flue gas other point sources. We report the design ionic liquids (ILs) properties tailored to this separation problem. Atomistic simulations predict suitably substituted aprotic heterocyclic anions, or "AHAs," bind energies can be controlled over wide range suitable separations. Further, unlike all previously known CO2-binding ILs, AHA IL...
Amine-functionalized anion-tethered ionic liquids (ILs), trihexyl(tetradecyl)phosphonium glycinate [P66614][Gly], alanate [P66614][Ala], sarcosinate [P66614][Sar], valinate [P66614][Val], leucinate [P66614][Leu], and isoleucinate [P66614][Ile], were synthesized investigated as potential absorbents for CO2 capture from postcombustion flue gas. Their physical properties, including density, viscosity, glass transition temperature, thermal decomposition determined. The influence of changing the...
Amine-functionalized anion-tethered ionic liquids (ILs) trihexyl(tetradecyl)phosphonium asparaginate [P66614][Asn], glutaminate [P66614][Gln], lysinate [P66614][Lys], methioninate [P66614][Met], prolinate [P66614][Pro], taurinate [P66614][Tau], and threoninate [P66614][Thr] were synthesized investigated as potential absorbents for CO2 capture from postcombustion flue gas. Their physical properties, including density, viscosity, glass transition temperature, thermal decomposition temperature...
In the past decade, reports detailing preparation, characterization, and application of deep eutectic solvents (DESs) have grown in number significantly, showing signs increased interest attention. Indeed, these systems provide tunable polar environments attractive for their ease synthesis lack need purification. DESs are homogeneous composed two or more components having a significantly depressed melting point compared to either constituent material. As grow, common understanding...
Deep eutectic solvents (DESs) are an emerging class of non-aqueous that potentially scalable, easy to prepare and functionalize for many applications ranging from biomass processing energy storage technologies. Predictive understanding the fundamental correlations between local structure macroscopic properties is needed exploit large design space tunability DESs specific applications. Here, we employ a range computational experimental techniques span length-scales molecular timescales...
We report the redox activity of quinone materials, in presence ionic liquids, with ability to bind reversibly CO2. The reduction potential at which 1,4-naphthoquinone transforms dianion depends on strength hydrogen-bonding characteristics liquid solvent; under CO2, this transformation occurs much lower potentials than a CO2-inert environment. In absence two consecutive steps are required form first radical anion and then dianion, but quinones considered here, single two-electron wave...
A range of techniques including physical property measurements, neutron scattering experiments, ab initio molecular dynamics, and classical dynamics simulations are used to probe the structural, thermodynamic, transport properties a deep eutectic solvent comprised 1:2 molar ratio choline chloride ethylene glycol. This mixture, known as Ethaline, has many desirable for use in applications, therefore, understanding its liquid structure is interest. Simulation results able capture experimental...
The reaction kinetics between CO2 and trihexyl(tetradecyl)phosphonium ([P66614]) – based ionic liquids (ILs) with prolinate ([Pro]), 2-cyanopyrrolide ([2-CNpyr]), 3-(trifluoromethyl)pyrazolide ([3-CF3pyra]) anions are studied at temperatures from 22–60 °C. absorption of is carried out in a stirred reactor under pseudo first order conditions. ILs diluted to concentrations 0.05, 0.1 0.15 M tetraglyme nonreactive, low volatility solvent much lower viscosity than the ILs. Physical solubility...
The task-specific ionic liquid (IL), 1-ethyl-3-methylimidazolium 2-cyanopyrolide ([EMIM][2-CNpyr]), was encapsulated with polyurea (PU) and graphene oxide (GO) sheets via a one-pot Pickering emulsion, these capsules were used to scrub CO2 (0–5000 ppm) from moist air. Up 60 wt % of IL achieved in the synthesized capsules, we demonstrated comparable gravimetric capacities zeolites enhanced absorption rates compared those bulk due increased gas/liquid surface-to-volume area. reactive show...
Solvents made from a reactive ionic liquid, with an imidazolium cation and pyrrolide anion, ethylene glycol at wide compositional range were studied for separations of CO2 low partial pressures (≪0.1 bar up to 1 bar). Thermal analysis measurements viscosity density show compacting the liquid upon mixing enhanced stability achieved by hydrogen bonding. A detailed mechanistic study was performed IR, quantitative NMR, ab initio calculations that significant absorption capacity below 5000 ppm in...
Electrochemical conversion of CO2 requires selective catalysts and high solubility in the electrolyte to reduce energy requirement increase current efficiency. In this study, reduction reaction (CO2RR) over Ag electrodes acetonitrile-based electrolytes containing 0.1 M [EMIM][2-CNpyr] (1-ethyl-3-methylimidazolium 2-cyanopyrolide), a reactive ionic liquid (IL), is shown selectively (>94%) convert CO with stable density (6 mA·cm–2) for at least 12 h. The linear sweep voltammetry experiments...
The rapid development of direct air capture (DAC) technologies has become critical in order to remove CO 2 from the atmosphere and limit global warming a maximum 1.5°C. In this perspective, we provide mini review current research on emerging liquid- solid-based sorbent materials , summarize existing challenges DAC technologies, suggest future directions accelerate systems. particular, desired properties for breakthrough that efficiently captures releases it sequestration are described.
Choline-based amino acid ionic liquids with anions glycinate, β-alaninate, phenylalaninate, and prolinate were synthesized mixed ethylene glycol to form lower-viscosity benign eutectic solvents for CO2 capture. The highest capacity measured was 0.7 moles of per mole liquid (2 kg solvent) a 1 2 ratio mixture choline at bar 25 °C. Under 5000 ppm CO2, half this realized. Through combined study quantitative 13C NMR spectroscopy, molecular dynamics simulations density functional theory...
Herein we address the efficiency of CO2 sorption ionic liquids (IL) with hydrogen bond donors (e.g., glycols) added as viscosity modifiers and impact encapsulating them to limit sorbent evaporation under conditions for direct air capture CO2. Ethylene glycol, propylene 1,3-propanediol, diethylene glycol were three different ILs: 1-ethyl-3-methylimidazolium 2-cyanopyrrolide ([EMIM][2-CNpyr]), tetrafluoroborate ([EMIM][BF4]), 1-butyl-3-methylimidazolium ([BMIM][BF4]). Incorporation glycols...
Choline based eutectic solvents are developed for CO 2 capture. The physical properties as a function of the H-bond donor and acceptor components examined. Accordingly, molecular descriptors identified future property predictions.
The structural and dynamical changes in the solvation shell surrounding Li+ a multianion environment are studied by Raman spectroscopy molecular dynamics (MD) simulations. ternary electrolyte is composed of mixture two ionic liquids (ILs), n-methyl- n-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([PYR13][TFSI]) 1-ethyl-3-methylimidazolium dicyanamide ([EMIM][DCA]), lithium ([Li][TFSI]) salt (0-1 M). A 1:9 volumetric [PYR13][TFSI]/[EMIM][DCA] formed an eutectic that exhibited lower...
Potential dependent capacitance of [N<sub>1114</sub>][TFSI] suggests the crowding mechanism at wings potential range and overscreening near PZC.
The CO2 absorption by ionic liquids (ILs) were enhanced the use of hybrid capsules composed a core IL and shell polyurea alkylated graphene oxide (GO). These composite structures synthesized using Pickering emulsion as template, two different ILs prepared. contribution encapsulated on is consistent with agitated neat IL, but an improved mass transfer rate across pressures. This novel materials design allows for to be absorbed significantly faster compared provides insight into carbon capture...
The past two decades witnessed the development of a new type solvent system, named deep eutectic solvents, which have become increasingly investigated because they offer and potentially favorable properties, such as wide tunability in electrochemical, mechanical, transport properties. Deep (DES) systems are composed at least one main an additional component that is meant to interrupt original solvent/solvent interactions, thereby introducing lower melting points relative each individual...