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Dive into the research topics where Marie Vernell Parkes is active.

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Featured researches published by Marie Vernell Parkes.


Archive | 2015

Novel metal-organic frameworks for efficient stationary sources via oxyfuel combustion

Tina M. Nenoff; Dorina Florentina Sava Gallis; Marie Vernell Parkes; Jeffery A. Greathouse; Mark A. Rodriguez; Scott M Paap; Timothy C. Williams; Christopher R. Shaddix

Oxy-fuel combustion is a well-known approach to improve the heat transfer associated with stationary energy processes. Its overall penetration into industrial and power markets is constrained by the high cost of existing air separation technologies for generating oxygen. Cryogenic air separation is the most widely used technology for generating oxygen but is complex and expensive. Pressure swing adsorption is a competing technology that uses activated carbon, zeolites and polymer membranes for gas separations. However, it is expensive and limited to moderate purity O₂ . MOFs are cutting edge materials for gas separations at ambient pressure and room temperature, potentially revolutionizing the PSA process and providing dramatic process efficiency improvements through oxy-fuel combustion. This LDRD combined (1) MOF synthesis, (2) gas sorption testing, (3) MD simulations and crystallography of gas siting in pores for structure-property relationship, (4) combustion testing and (5) technoeconomic analysis to aid in real-world implementation.


Physical Chemistry Chemical Physics | 2013

Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology

Marie Vernell Parkes; Chad L. Staiger; John J. Perry; Mark D. Allendorf; Jeffery A. Greathouse


Microporous and Mesoporous Materials | 2014

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8.

Marie Vernell Parkes; Hakan Demir; Stephanie Teich-McGoldrick; David S. Sholl; Jeffery A. Greathouse; Mark D. Allendorf


Chemistry of Materials | 2015

Enhanced O2 selectivity versus N2 by partial metal substitution in Cu-BTC

Dorina Florentina Sava Gallis; Marie Vernell Parkes; Jeffery A. Greathouse; Xiaoyi Zhang; Tina M. Nenoff


Journal of Physical Chemistry C | 2015

Effect of Metal in M3(btc)2 and M2(dobdc) MOFs for O2/N2 Separations: A Combined Density Functional Theory and Experimental Study

Marie Vernell Parkes; Dorina Florentina Sava Gallis; Jeffery A. Greathouse; Tina M. Nenoff


Physical Chemistry Chemical Physics | 2016

Ab initio molecular dynamics determination of competitive O2vs. N2 adsorption at open metal sites of M2(dobdc)

Marie Vernell Parkes; Jeffery A. Greathouse; David Hart; Dorina Florentina Sava Gallis; Tina M. Nenoff


Chemistry of Materials | 2016

Selective O2 Sorption at Ambient Temperatures via Node Distortions in Sc-MIL-100

Dorina Florentina Sava Gallis; Karena W. Chapman; Mark A. Rodriguez; Jeffery A. Greathouse; Marie Vernell Parkes; Tina M. Nenoff


Dalton Transactions | 2017

Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production

LaRico J. Treadwell; Timothy J. Boyle; W. Adam Phelan; Marie Vernell Parkes; David P. Young


Polyhedron | 2016

Synthesis and characterization of a series of Group 4 phenoxy-thiol derivatives

Timothy J. Boyle; Michael Luke Neville; Marie Vernell Parkes


Archive | 2015

Light Gas Separations and Storage with MOFs via Modeling Synthesis and Pressurized Induced Structural Changes.

Tina M. Nenoff; Dorina Florentina Sava Gallis; Marie Vernell Parkes; Jeffery A. Greathouse; Mark A. Rodriguez; Karena W. Chapman

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Tina M. Nenoff

Sandia National Laboratories

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Mark A. Rodriguez

Sandia National Laboratories

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Mark D. Allendorf

Sandia National Laboratories

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Timothy J. Boyle

Sandia National Laboratories

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Chad L. Staiger

Sandia National Laboratories

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David S. Sholl

Georgia Institute of Technology

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Hakan Demir

Georgia Institute of Technology

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Karena W. Chapman

Argonne National Laboratory

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