Predictions of H isotope separation using crystalline and amorphous metal membranes: A computational approach

Semidey-Flecha, Lymarie; Hao, Shiqiang; Sholl, David S.

doi:10.1016/j.jtice.2008.12.012

Cited by 9 publications

(4 citation statements)

References 67 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Once the lattice models describing interstitial H for each alloy are defined, the macroscopic solubility, diffusivity, and permeability of H through the bulk alloy can be calculated using a combination of statistical mechanical calculations and kinetic Monte Carlo (KMC) simulations. ,− These quantities can be calculated to high precision with minimal computational effort once the lattice model is defined. The solubility of dilute amounts of atomic H can be found using Sieverts’ law, which relates the interstitial concentration of atomic H to the gas phase H 2 pressure as follows, Θ = K s P H 2 1/2 is the H/M ratio in the alloy and K s is Sieverts’ constant.…”

Section: Methodsmentioning

confidence: 99%

Predicting, Fabricating, and Permeability Testing of Free-Standing Ternary Palladium−Copper−Gold Membranes for Hydrogen Separation

et al. 2010

Self Cite

View full text Add to dashboard Cite

For hydrogen from coal gasification to be used economically, novel separation processes that produce highpurity H 2 must be developed. While binary palladium based alloys have shown promising pure hydrogen flux values, the search for optimal binary or ternary alloys is an involved and costly process due to the immense number of alloy variations that can be prepared and tested. In this paper an approach to identify, fabricate, and experimentally verify the hydrogen permeation performance of PdCu and PdAu binary alloys and ternary alloys of PdCuAu at various copper and gold concentrations to produce robust, poison-tolerant, hydrogen selective free-standing membranes is reported. This approach utilizes three primary tasks of (1) materials modeling and composition selection, (2) fabrication of high-performance binary and ternary alloy membranes, and (3) membrane testing and evaluation that are all operating independently and concurrently. For the binary Pd-Cu system, using a pure Pd membrane as the reference, both the theoretically predicted and experimentally measured additions of copper lowered the hydrogen permeability. For the binary Pd-Au system, the addition of gold slightly lowered permeability in the theoretical model but in the experimental testing was enhanced. For the ternary system, both experimental and theoretical permeabilities were depressed, with Cu exhibiting a larger influence on reducing the permeability.

show abstract

Section: Methodsmentioning

confidence: 99%

Predicting, Fabricating, and Permeability Testing of Free-Standing Ternary Palladium−Copper−Gold Membranes for Hydrogen Separation

et al. 2010

Self Cite

View full text Add to dashboard Cite

show abstract

“…This technique has been applied to crystalline Pd alloy membranes [72,84,[93][94][95][96], amorphous non-Pd alloy membranes [97][98][99], and AB 2 hydrogen storage alloys [100][101][102] but currently not to binary higher order BCC Group IV and V alloy membranes.…”

Section: Palladium Alloy Membranesmentioning

confidence: 99%

Hydrogen selective membranes: A review of palladium-based dense metal membranes

Al-Mufachi

Rees

Steinberger-Wilkens

2015

Renewable and Sustainable Energy Reviews

378

162

View full text Add to dashboard Cite

“…Already some workers have examined Pd-based systems [72][73][74] and amorphous Ni-based alloys [75], and it is expected that binary and higher order BCC non-Pd-alloys will be examined in time. …”

Section: Theoretical Models For the Prediction Of Hydrogen Diffusivitymentioning

confidence: 99%

“…This approach has been applied to crystalline Pd-alloys [103,[112][113][114][115][116] and amorphous non-Pd-alloy membranes [73,75,117], as well as AB 2 hydrogen storage alloys [118][119][120], but not yet to binary and higher order BCC Group IV and V membrane alloys.…”

Section: Theoretical Models For the Prediction Of Hydrogen Solubilitymentioning

confidence: 99%

Non-Pd BCC alloy membranes for industrial hydrogen separation

Dolan

2010

Journal of Membrane Science

251

152

View full text Add to dashboard Cite

Predictions of H isotope separation using crystalline and amorphous metal membranes: A computational approach

Cited by 9 publications

References 67 publications

Predicting, Fabricating, and Permeability Testing of Free-Standing Ternary Palladium−Copper−Gold Membranes for Hydrogen Separation

Predicting, Fabricating, and Permeability Testing of Free-Standing Ternary Palladium−Copper−Gold Membranes for Hydrogen Separation

Hydrogen selective membranes: A review of palladium-based dense metal membranes

Non-Pd BCC alloy membranes for industrial hydrogen separation

Contact Info

Product

Resources

About