Search Results - "Opalka, Susanne M."

Influence of the Si/Al ratio and Al distribution on the H-ZSM-5 lattice and Brønsted acid site characteristics by Opalka, Susanne M., Zhu, Tianli

“…An experimentally-guided theoretical study was conducted to investigate H-ZSM-5 aluminosilicate lattice intrinsic Brønsted acid site properties and reactive…”
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Modeling alkali alanates for hydrogen storage by density-functional band-structure calculations by Løvvik, Ole Martin, Swang, Ole, Opalka, Susanne M.

“…The alanates (complex aluminohydrides) have relatively high gravimetric hydrogen density and are among the most promising solid-state hydrogen-storage…”
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Thermodynamic modeling of the Na–Al–Ti–H system and Ti dissolution in sodium alanates by Qiu, Caian, Opalka, Susanne M., Løvvik, Ole M., Olson, Gregory B.

“…Thermodynamic assessments were made to optimize thermodynamic models and parameter fits to selected experimental and first principles hypothetical predicted…”
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Reversed surface segregation in palladium-silver alloys due to hydrogen adsorption by Løvvik, O.M., Opalka, Susanne M.

“…It is well known that silver segregates to the surface of pure and ideal Pd–Ag alloy surfaces. By first-principles band-structure calculations it is shown in…”
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Mechanistic Investigations of Heterogeneously Catalyzed Steam Gasification of Coke Precursors by Opalka, Susanne M, Huang, He, Tang, Xia

“…Atomic modeling was conducted to mechanistically investigate the CsOH steam gasification catalyst coating that has been successfully demonstrated to eliminate…”
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Hydrogen permeability of sulfur tolerant Pd–Cu alloy membranes by She, Ying, Emerson, Sean C., Magdefrau, Neal J., Opalka, Susanne M., Thibaud-Erkey, Catherine, Vanderspurt, Thomas H.

“…H2 permeation through Pd–Cu alloy membranes was carried out using pure H2, simulated syngas, and binary H2 gas mixtures of N2, CO, CO2, or H2O, respectively,…”
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Electronic origins for sulfur interactions with palladium alloys for hydrogen-selective membranes by Opalka, Susanne M., Løvvik, Ole M., Emerson, Sean C., She, Ying, Vanderspurt, Thomas H.

“…► Electronic factors predominately control S interactions with Pd alloys. ► Adsorption enthalpy of 0.25 monolayer S on Pd alloys inversely correlates with…”
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Decomposition of lithium magnesium aluminum hydride by Grove, Hilde, Løvvik, Ole Martin, Huang, Weiming, Opalka, Susanne M., Heyn, Richard H., Hauback, Bjørn C.

“…The quaternary aluminum hydride LiMg(AlH 4) 3 contains 9.7 wt% hydrogen, of which 7.2 wt% can be released in a two-step decomposition reaction via first…”
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Hydrogen storage properties of Na–Li–Mg–Al–H complex hydrides by Tang, Xia, Opalka, Susanne M., Laube, Bruce L., Wu, Feng-Jung, Strickler, Jamie R., Anton, Donald L.

“…Lightweight complex hydrides have attracted attention for their high storage hydrogen capacity. NaAlH 4 has been widely studied as a hydrogen storage material…”
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Thermodynamic modelling of the Cu–Pd–H system by Huang, Weiming, Opalka, Susanne M., Wang, Da, Flanagan, Ted B.

“…Thermodynamic modelling of hydrogen interactions with the Cu–Pd B2 alloys is used to set the stage for the development of membrane alloys with improved thermal…”
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Integrated Experimental−Theoretical Investigation of the Na−Li−Al−H System by Opalka, Susanne M, Løvvik, Ole M, Brinks, Hendrik W, Saxe, Paul W, Hauback, Bjørn C

“…First-principles modeling, experimental, and thermodynamic methodologies were integrated to facilitate a fundamentally guided investigation of quaternary…”
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Thermodynamic Evaluation of the Al-H System by Qiu, Caian, Olson, Gregory B., Opalka, Susanne M., Anton, Donald L.

“…The thermodynamic properties of the Al-H system were assessed using models for the Gibbs energy of the individual phases, including the metastable hydride AlH3…”
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The Na–H system: from first-principles calculations to thermodynamic modeling by Qiu, Caian, Opalka, Susanne M., Olson, Gregory B., Anton, Donald L.

“…The Na–H system thermodynamic properties were assessed using Gibbs free energy model parameters obtained from best fit optimizations to combined experimental…”
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Thermodynamic modeling of the sodium alanates and the Na–Al–H system by Qiu, Caian, Opalka, Susanne M., Olson, Gregory B., Anton, Donald L.

“…The thermodynamic properties of the Al–Na and Na–Al–H systems have been assessed by combining the “calculation of phase diagram” approach with first-principles…”
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Thermodynamic evaluation of the Al-H system by Qiu, Caian, Olson, Gregory B, Opalka, Susanne M, Anton, Donald L

“…The thermodynamic properties of the Al-H system were assessed using models for the Gibbs energy of the individual phases, including the metastable hydride AlH3…”
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Thermodynamic modeling of the sodium alanates and the Na–Al–H system by Qiu, Caian, Opalka, Susanne M., Olson, Gregory B., Anton, Donald L.

“…The thermodynamic properties of the Al –Na and Na–Al – H systems have been assessed by combining the “calculation of phase diagram” approach with…”
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Thermodynamic modeling of the sodium alanates and the Na–Al–H system by Qiu, Caian, Opalka, Susanne M., Olson, Gregory B., Anton, Donald L.

“…The thermodynamic properties of the Al –Na and Na–Al – H systems have been assessed by combining the “calculation of phase diagram” approach with…”
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The Na–H system: from first-principles calculations to thermodynamic modeling by Qiu, Caian, Opalka, Susanne M., Olson, Gregory B., Anton, Donald L.

“…The Na–H system thermodynamic properties were assessed using Gibbs free energy model parameters obtained from best fit optimizations to combined experimental…”
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The Na–H system: from first-principles calculations to thermodynamic modeling by Qiu, Caian, Opalka, Susanne M., Olson, Gregory B., Anton, Donald L.

“…The Na–H system thermodynamic properties were assessed using Gibbs free energy model parameters obtained from best fit optimizations to combined experimental…”
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Hydrogen storage properties of Na-Li-Mg-Al-H complex hydrides by XIA TANG, OPALKA, Susanne M, LAUBE, Bruce L, WU, Feng-Jung, STRICKLER, Jamie R, ANTON, Donald L

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