Molecular dynamics modelling of hydrated mineral interlayers and surfaces: structure and dynamics
RJ Kirkpatrick, AG Kalinichev, J Wang - Mineralogical Magazine, 2005 - cambridge.org
This paper reviews the results of recent molecular dynamics (MD) modelling studies of the
interaction of water and solute species with mineral surfaces and their behaviour in mineral …
interaction of water and solute species with mineral surfaces and their behaviour in mineral …
Molecular dynamics simulation of uranyl (VI) adsorption equilibria onto an external montmorillonite surface
JA Greathouse, RT Cygan - Physical Chemistry Chemical Physics, 2005 - pubs.rsc.org
We used molecular dynamics simulations to study the adsorption of aqueous uranyl species
(UO22+) onto clay mineral surfaces in the presence of sodium counterions and carbonato …
(UO22+) onto clay mineral surfaces in the presence of sodium counterions and carbonato …
Modeling the response of pyrophyllite interlayer to applied stress using steered molecular dynamics
Pyrophyllite is the precursor to other smectite-group minerals which exhibit swelling. The
mineral structure of pyrophyllite can lead to other minerals in the smectite group, including …
mineral structure of pyrophyllite can lead to other minerals in the smectite group, including …
Evolution of mechanical response of sodium montmorillonite interlayer with increasing hydration by molecular dynamics
The mechanical response of the interlayer of hydrated montmorillonite was evaluated using
steered molecular dynamics. An atomic model of the sodium montmorillonite was previously …
steered molecular dynamics. An atomic model of the sodium montmorillonite was previously …
The gap between crystalline and osmotic swelling of Na-montmorillonite: A Monte Carlo study
A Meleshyn, C Bunnenberg - The Journal of chemical physics, 2005 - pubs.aip.org
Although the swelling of clay during moistening is a broadly experienced occurrence, the
mechanisms driving it and especially the reason for the existence of a peculiar gap between …
mechanisms driving it and especially the reason for the existence of a peculiar gap between …
钾离子稳定井壁作用机理研究
孙明波， 侯万国， 孙德军， 何涛 - 钻井液与完井液, 2005 - cqvip.com
研究了钙蒙脱土, 钠蒙脱土和钾蒙脱土在清水和7% KCl 溶液中的水化膨胀, 用X
射线衍射仪测定了3 种蒙脱土在清水和7% KCl 溶液中浸泡后的层间距, 结合粘土膨胀机理的 …
射线衍射仪测定了3 种蒙脱土在清水和7% KCl 溶液中浸泡后的层间距, 结合粘土膨胀机理的 …
Stability of Na-, K-, and Ca-montmorillonite at high temperatures and pressures: A Monte Carlo simulation
L de Pablo, ML Chávez, JJ de Pablo - Langmuir, 2005 - ACS Publications
Monte Carlo grand canonical molecular simulations on the hydration of Na-, K-, and Ca-
montmorillonite show that between 333 and 533 K and 300− 1300 bar Na-montmorillonite …
montmorillonite show that between 333 and 533 K and 300− 1300 bar Na-montmorillonite …
Uranyl surface complexes in a mixed-charge montmorillonite: Monte Carlo computer simulation and polarized XAFS results
JA Greathouse, HR Stellalevinsohn, MA Denecke… - Clays and Clay …, 2005 - Springer
We report a combined experimental and theoretical study of uranyl complexes that form on
the interlayer siloxane surfaces of montmorillonite. We also consider the effect of isomorphic …
the interlayer siloxane surfaces of montmorillonite. We also consider the effect of isomorphic …
聚合物基纳米复合材料性能及理论研究
黄明福， 于九皋， 林通 - 高分子通报, 2005 - cqvip.com
聚合物基纳米复合材料性能及理论研究-[维普官方网站]-www.cqvip.com-维普网 我的维普 购物车
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Quantifying shale porosity—A thermodynamically based, predictive model which includes the effects of mechanical compaction, temperature, mineralogy, and …
JT Krushin - 2005 - archives.datapages.com
Historically, geologists have borrowed the model of exponential loss of water from shale due
to increasing net overburden pressure from soil scientists and civil engineers. This method …
to increasing net overburden pressure from soil scientists and civil engineers. This method …