skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Treatment of lignite and thermal coal with low cost amino acid based ionic liquid-water mixtures

Authors:
; ; ; ; ORCiD logo;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1397656
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Fuel
Additional Journal Information:
Journal Volume: 202; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-04 21:56:34; Journal ID: ISSN 0016-2361
Publisher:
Elsevier
Country of Publication:
United Kingdom
Language:
English

Citation Formats

To, Trang Q., Shah, Kalpit, Tremain, Priscilla, Simmons, Blake A., Moghtaderi, Behdad, and Atkin, Rob. Treatment of lignite and thermal coal with low cost amino acid based ionic liquid-water mixtures. United Kingdom: N. p., 2017. Web. doi:10.1016/j.fuel.2017.04.051.
To, Trang Q., Shah, Kalpit, Tremain, Priscilla, Simmons, Blake A., Moghtaderi, Behdad, & Atkin, Rob. Treatment of lignite and thermal coal with low cost amino acid based ionic liquid-water mixtures. United Kingdom. doi:10.1016/j.fuel.2017.04.051.
To, Trang Q., Shah, Kalpit, Tremain, Priscilla, Simmons, Blake A., Moghtaderi, Behdad, and Atkin, Rob. 2017. "Treatment of lignite and thermal coal with low cost amino acid based ionic liquid-water mixtures". United Kingdom. doi:10.1016/j.fuel.2017.04.051.
@article{osti_1397656,
title = {Treatment of lignite and thermal coal with low cost amino acid based ionic liquid-water mixtures},
author = {To, Trang Q. and Shah, Kalpit and Tremain, Priscilla and Simmons, Blake A. and Moghtaderi, Behdad and Atkin, Rob},
abstractNote = {},
doi = {10.1016/j.fuel.2017.04.051},
journal = {Fuel},
number = C,
volume = 202,
place = {United Kingdom},
year = 2017,
month = 8
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on April 20, 2018
Publisher's Accepted Manuscript

Save / Share:
  • The treatment of coals of various degrees of metamorphism in supercritical water (SCW) over the temperature region 380-800{sup o}C was studied. The possibility of obtaining strong agglomerates from the powders of long-flame and oxidized fat noncoking coals by treatment in SCW was demonstrated. The strength of agglomerates was commensurable with the strength of lump coal.
  • The combination of amino acid anions with the choline cation gives origin to a new and potentially important class of organic ionic liquids that might represent a viable and bio-compatible alternative with respect to the traditional ones. We present here a detailed study of the bulk phase of the prototype system composed of the simplest amino acid (alanine) anion and the choline cation, based on ab initio and classical molecular dynamics. Theoretical findings have been validated by comparing with accurate experimental X-ray diffraction data and infrared spectra. We find that hydrogen bonding (HB) features in these systems are crucial inmore » establishing their local geometric structure. We have also found that these HBs once formed are persistent and that the proton resides exclusively on the choline cation. In addition, we show that a classical force field description for this particular ionic liquid can be accurately performed by using a slightly modified version of the generalized AMBER force field.« less
  • Optimization of the amino acid residue within a series of anthranilimide-based glycogen phosphorylase inhibitors is described. These studies culminated in the identification of anthranilimides 16 and 22 which displayed potent in vitro inhibition of GPa in addition to reduced inhibition of CYP2C9 and excellent pharmacokinetic properties.
  • We report details of the coordination environment about Cu(II) in a pure ionic liquid, 1- ethyl-3-methylimidazolium chloride ([EMIM]Cl) and in mixtures containing varying amounts of water from 0-100% of the [EMIM]Cl. There are many stages in the ion pairing of the divalent cation, Cu(II) including the contact ion pairing of Cu2+ with multiple Cl- to form various CuCln (2-n) polyanions. Thereis also the subsequent solvation and ion pairing of the polychlorometallate anion with the EMIM+ cation. Using a combination of x-ray absorption fine structure (XAFS), UV-Vis spectroscopy and electronic structure calculations (TDDFT) we are able to follow the detailed structuralmore » changes about Cu(II). Ion pair formation is strongly promoted in [EMIM]Cl by the low dielectric constant and by the extensive breakdown of the water hydrogen bond network in [EMIM]Cl/water mixtures. In the [EMIM]Cl solvent the CuCl4 2- species dominates and it’s geometry is quite similar to gas-phase structure. These results are important in understanding catalysis and separation processes involving transition metals in ionic liquid systems.« less