J
John A. Purton
Researcher at Daresbury Laboratory
Publications - 92
Citations - 2561
John A. Purton is an academic researcher from Daresbury Laboratory. The author has contributed to research in topics: Monte Carlo method & Hybrid Monte Carlo. The author has an hindex of 29, co-authored 89 publications receiving 2356 citations. Previous affiliations of John A. Purton include London Centre for Nanotechnology & Science and Technology Facilities Council.
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Surface oxidation of pyrite under ambient atmospheric and aqueous (pH=2 to 10) conditions: Electronic structure and mineralogy from X-ray absorption spectroscopy
TL;DR: In this paper, the surface oxidation phase on pyrite, FeS2, reacted in aqueous electrolytes at pH = 2 to 10 and with air under ambient atmospheric conditions was studied using synchrotron-based oxygen K edge, sulfur LIII edge, and iron LII,III edge X-ray absorption spectroscopy.
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Surface oxidation of chalcopyrite (CuFeS2) under ambient atmospheric and aqueous (pH 2-10) conditions: Cu, Fe L- and O K-edge X-ray spectroscopy
TL;DR: In this article, X-ray absorption and emission spectra were used to characterize the surface of chalcopyrite after oxidation both in air and in air-saturated aqueous solution (pH = 2-10).
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Atomistic simulation of trace element incorporation into garnets—comparison with experimental garnet-melt partitioning data
TL;DR: In this article, the Brice model was applied to simulate perfect and defective lattices in the static limit of pure almandine (Alm), grossular (Gros), pyrope (Py) and spessartine (Spes) garnets.
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The ‘zero charge’ partitioning behaviour of noble gases during mantle melting
Richard A. Brooker,Z Du,Jon D Blundy,Simon P. Kelley,Neil L. Allan,Bernard Wood,Eduardo Chamorro,Eduardo Chamorro,J-A Wartho,J-A Wartho,John A. Purton +10 more
TL;DR: Independent atomistic computer simulations indicate that noble gases can be considered as species of ‘zero charge’ incorporated at crystal lattice sites, which provides a theoretical framework with which to model noble-gas geochemistry as a function of residual mantle mineralogy.
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Guest-Adaptable and Water-Stable Peptide-Based Porous Materials by Imidazolate Side Chain Control
Alexandros P. Katsoulidis,Kyo Sung Park,Dmytro Antypov,Carlos Martí-Gastaldo,Gary J. Miller,John E. Warren,Craig M. Robertson,Frédéric Blanc,George R. Darling,Neil G. Berry,John A. Purton,Dave J. Adams,Matthew J. Rosseinsky +12 more
TL;DR: Single-crystal X-ray diffraction showed that the ZnCar framework adapts to MeOH and H2O guests because of the torsional flexibility of the main His-β-Ala chain, while retaining the rigidity conferred by theZn–imidazolate chains.