Zobrazeno 1 - 10
of 80
pro vyhledávání: '"Louise J. Criscenti"'
Publikováno v:
Frontiers in Materials, Vol 6 (2019)
Glassy silicates are substantially weaker when in contact with aqueous electrolyte solutions than in vacuum due to chemical interactions with preexisting cracks. To investigate this silicate weakening phenomenon, classical molecular dynamics (MD) sim
Externí odkaz:
https://doaj.org/article/1a9834fd84f4469288e3b478f61c7704
Publikováno v:
The Journal of Physical Chemistry C. 127:8695-8703
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0c789ebd61c2b401d9890a366886ca56
https://doi.org/10.1021/acs.jpcc.2c08157
https://doi.org/10.1021/acs.jpcc.2c08157
Publikováno v:
The Journal of Physical Chemistry Letters. 13:9339-9347
Oriented attachment is an important crystal growth pathway in nature and has been extensively exploited to develop hierarchically structured crystalline materials. Atomistic mismatch in the crystal structure of two particles in the solvent-separated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4cd4bd4f5a3a2b176f1ab22ce28fa01d
https://doi.org/10.1021/acs.jpclett.2c02511
https://doi.org/10.1021/acs.jpclett.2c02511
Autor:
Tyler J. Duncan, Jacob A. Harvey, Andrew W. Knight, Louise J. Criscenti, Jeffery A. Greathouse, Anastasia G. Ilgen
Publikováno v:
Environmental Science: Nano. 8:1992-2005
We present a combined molecular dynamics (MD) simulation and X-ray absorption fine structure (XAFS) spectroscopic investigation of aqueous iron adsorption on nanoconfined amorphous silica surfaces. The simulation models examine the effects of pore si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2814f49a26431664d80c2c065dee0658
https://doi.org/10.1039/d1en00066g
https://doi.org/10.1039/d1en00066g
Reactions at solid-water interfaces play a foundational role in water treatment systems, catalysis, chemical separations, and in predicting chemical fate and transport in the environment. Over the last century, experimental measurements and computati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75243617b49fb0b5bfadc0ad0c026214
The lanthanide elements have well-documented similarities in their chemical behavior, which makes the valuable trivalent lanthanide cations (Ln(III)) particularly difficult to separate from each other in water. In this work, we apply ab initio molecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf06a333d8954b6dbf1f47e4f3c9b713
http://arxiv.org/abs/2107.01265
http://arxiv.org/abs/2107.01265
Publikováno v:
The Journal of Physical Chemistry Letters. 10:3704-3709
A molecular-scale understanding of the transition between hydration states in clay minerals remains a challenging problem because of the very fast stepwise swelling process observed from X-ray diffraction (XRD) experiments. XRD profile modeling assum
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b2501e998bf69e578e72d62d7474425
https://doi.org/10.1021/acs.jpclett.9b01565
https://doi.org/10.1021/acs.jpclett.9b01565
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(10)
Lanthanide elements have well-documented similarities in their chemical behavior, which make the valuable trivalent lanthanide cations (Ln3+) particularly difficult to separate from each other in water. In this work, we apply ab initio molecular dyna
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::860a5c7ac750471e05b5cb5065cf1784
https://pubmed.ncbi.nlm.nih.gov/33662085
https://pubmed.ncbi.nlm.nih.gov/33662085
Autor:
David Sassani, Amanda Sanchez, Ralph Rogers, Robert P. Rechard, Philippe F. Weck, Mekalah Padilla, Nichole Fluke, Walter Walkow, Laura L. Price, Fred Gelbard, Jack Tillman, Jeralyn Prouty, Patrick V. Brady, Louise J. Criscenti, Mark J. Rigali
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9eadd8e1820206b20f30ab88ed113a0f
https://doi.org/10.2172/1764335
https://doi.org/10.2172/1764335
Autor:
Louise J. Criscenti, Tuan A. Ho
Publikováno v:
Journal of colloid and interface science. 600
Using molecular dynamics simulations, we investigate the molecular scale origin of crystal face selectivity when one gibbsite particle attaches to another in water. A comparison of the free energy per unit surface area of particle–particle attachme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11f4dc5c6920e7ee2f248c2975850868
https://pubmed.ncbi.nlm.nih.gov/34022727
https://pubmed.ncbi.nlm.nih.gov/34022727