Lelia Cosimbescu

Pacific Northwest National Laboratory

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Vijayakumar Murugesan

Pacific Northwest National Laboratory

Daniel J. Gaspar

Pacific Northwest National Laboratory

Wu Xu

Pacific Northwest National Laboratory

Kristen B. Campbell

University of California, Davis

Wei Wang

Pacific Northwest National Laboratory

Marie Swita

Pacific Northwest National Laboratory

Xiaoliang Wei

Indiana University – Purdue University Indianapolis

Vincent Sprenkle

Pacific Northwest National Laboratory

Priyanka Bhattacharya

University of Louisville

Deepika Malhotra

Pacific Northwest National Laboratory

Cooperative Institutions

Pacific Northwest National Laboratory

Battelle

Richland College

Environmental Molecular Sciences Laboratory

Government of the United States of America

Argonne National Laboratory

Oak Ridge National Laboratory

John Wiley & Sons (United States)

Virginia Tech Transportation Institute

National Technical Information Service

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The quest for efficient oxygenated fuels: Examining interactions between lubricant components and oxygenates

Fuel (2020)

Lelia Cosimbescu Kristen B. Campbell Tracy J. Baker Marie Swita Daniel J. Gaspar

Oxygenate

Polyoxymethylene

Lubricity

Flame ionization detector

10.1016/j.fuel.2020.119728

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Citations (2)

Batteries: Towards High-Performance Nonaqueous Redox Flow Electrolyte Via Ionic Modification of Active Species (Adv. Energy Mater. 1/2015)

Advanced Energy Materials (2015)

Xiaoliang Wei Lelia Cosimbescu Wu Xu Jian Zhi Hu Vijayakumar Murugesan

High concentrations of electroactive materials are essential to achieve high energy densities in redox flow batteries. In article number 1400678, Wu Xu, Wei Wang, and co-workers describe a molecular engineering strategy that introduces a polar ionic group to the ferrocene, leading to a 20-fold increase in its solubility and thus energy density. When tested in a non-aqueous Li-organic flow cell with a Li-graphite hybrid anode, the redox electrolyte produces an energy density of 50 Wh L−1 and an energy efficiency >75% with decent cyclability.

Energy density

10.1002/aenm.201570002

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Citations (3)

Data for EMSL Project 48316 from March 2020

OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (2020)

William A. Goddard Donald R. Baer Douglas Baxter Theva Thevuthasan Zimin Nie

10.25582/data.2020-03.1970401/2390982

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Citations (0)

Probing the molecular design of hyper-branched aryl polyesters towards lubricant applications

Scientific Reports (2016)

Joshua W. Robinson Yan Zhou Priyanka Bhattacharya R.A. Erck Jun Qu

Abstract We report novel polymeric materials that may be used as viscosity index improvers (VII) for lubricant applications. Our efforts included probing the comb-burst hyper-branched aryl polyester architecture for beneficial viscosity and friction behavior when utilized as an additive in a group I oil. The monomer was designed as to undergo polymerization via polycondensation within the architectural construct (AB 2 ), typical of hyperbranched polymers. The monomer design was comprised of aliphatic arms (12 or 16 methylenes) to provide the necessary lipophilicity to achieve solubility in a non-polar medium. Once polymerized, via catalyst and heat, the surface alcohols were functionalized with fatty acids (lauric and palmitic). Controlling the aliphatic nature of the internal arms and peripheral end-groups provided four unique flexible polymer designs. Changing the reaction time and concentration provided opportunities to investigate the influence of molecular weight and branching density on oil-solubility, viscosity and friction. Oil-solubility was found to decrease with fewer internal carbons, but the number of internal carbons appears to have little influence on the bulk solution viscosity. At concentrations of 2 wt % in a group I base oil, these polymer additives demonstrated an improved viscosity index and reduced friction coefficient, validating the basic approach.

Viscosity index

Branching (polymer chemistry)

Hildebrand solubility parameter

Polymer architecture

10.1038/srep18624

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Citations (32)

Towards High‐Performance Nonaqueous Redox Flow Electrolyte Via Ionic Modification of Active Species

Advanced Energy Materials (2014)

Xiaoliang Wei Lelia Cosimbescu Wu Xu Jian Zhi Hu Vijayakumar Murugesan

Nonaqueous redox flow batteries are emerging flow‐based energy storage technologies that have the potential for higher energy densities than their aqueous counterparts because of their wider voltage windows. However, their performance has lagged far behind their inherent capability due to one major limitation of low solubility of the redox species. Here, a molecular structure engineering strategy towards high performance nonaqueous electrolyte is reported with significantly increased solubility. Its performance outweighs that of the state‐of‐the‐art nonaqueous redox flow batteries. In particular, an ionic‐derivatized ferrocene compound is designed and synthesized that has more than 20 times increased solubility in the supporting electrolyte. The solvation chemistry of the modified ferrocene compound. Electrochemical cycling testing in a hybrid lithium–organic redox flow battery using the as‐synthesized ionic‐derivatized ferrocene as the catholyte active material demonstrates that the incorporation of the ionic‐charged pendant significantly improves the system energy density. When coupled with a lithium‐graphite hybrid anode, the hybrid flow battery exhibits a cell voltage of 3.49 V, energy density about 50 Wh L −1 , and energy efficiency over 75%. These results reveal a generic design route towards high performance nonaqueous electrolyte by rational functionalization of the organic redox species with selective ligand.

Flow battery

10.1002/aenm.201400678

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Citations (208)

Production, fuel properties and combustion testing of an iso-olefins blendstock for modern vehicles

Fuel (2021)

Vanessa Lebarbier Dagle Martin Affandy Johnny Saavedra Lopez Lelia Cosimbescu Daniel J. Gaspar

Octane rating

Oxygenate

10.1016/j.fuel.2021.122314

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Citations (19)

The properties of bicyclic and multicyclic hydrocarbons as bio-derived compression ignition fuels that can be preparedviaefficient and scalable routes from biomass

Sustainable Energy & Fuels (2021)

Lelia Cosimbescu Kristen B. Campbell Senthil Subramanian Marie Swita Naijia Hao

A series of multicyclic hydrocarbons were synthesized in high yield and under mild conditions from 2,5-hexanedione, cyclohexanone and cyclopentanone, on a scale of 200 g.

Cyclopentanone

10.1039/d0se01742f

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Citations (3)

Investigations of prenol reactions catalyzed by zinc and molybdenum complexes

Fuel (2021)

Lelia Cosimbescu Kristen B. Campbell Jotheeswari Kothandaraman Deepika Malhotra Marie Swita

Isoprene

10.1016/j.fuel.2021.121857

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Citations (6)

Critical fuel property evaluation for potential gasoline and diesel biofuel blendstocks with low sample volume availability

Fuel (2018)

Evgueni Polikarpov Karl Albrecht Jordan P. Page Deepika Malhotra Phillip Koech

Cetane number

Autoignition temperature

Octane rating

10.1016/j.fuel.2018.09.129

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Citations (10)

Anion-Tunable Properties and Electrochemical Performance of Functionalized Ferrocene Compounds

Scientific Reports (2015)

Lelia Cosimbescu Xiaoliang Wei Vijayakumar Murugesan Wu Xu Monte L. Helm

Abstract We report a series of ionically modified ferrocene compounds for hybrid lithium-organic non-aqueous redox flow batteries, based on the ferrocene/ferrocenium redox couple as the active catholyte material. Tetraalkylammonium ionic moieties were incorporated into the ferrocene structure, in order to enhance the solubility of the otherwise relatively insoluble ferrocene. The effect of various counter anions of the tetraalkylammonium ionized species appended to the ferrocene, such as bis(trifluoromethanesulfonyl)imide, hexafluorophosphate, perchlorate, tetrafluoroborate and dicyanamide on the solubility of the ferrocene was investigated. The solution chemistry of the ferrocene species was studied, in order to understand the mechanism of solubility enhancement. Finally, the electrochemical performance of these ionized ferrocene species was evaluated and shown to have excellent cell efficiency and superior cycling stability.

10.1038/srep14117

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Citations (66)