Search Results - "H. Chris Greenwell"

The Water-Alkane Interface at Various NaCl Salt Concentrations: A Molecular Dynamics Study of the Readily Available Force Fields by Underwood, Thomas R., Greenwell, H. Chris

“…In this study, classical molecular dynamic simulations have been used to examine the molecular properties of the water-alkane interface at various NaCl salt…”
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Mineral surface chemistry control for origin of prebiotic peptides by Erastova, Valentina, Degiacomi, Matteo T., G. Fraser, Donald, Greenwell, H. Chris

“…Some seventy years ago, John Desmond Bernal proposed a role for clays in the origin of life. While much research has since been dedicated to the study of…”
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A method for automatic shale porosity quantification using an Edge-Threshold Automatic Processing (ETAP) technique by Tian, Shansi, Bowen, Leon, Liu, Bo, Zeng, Fang, Xue, Haitao, Erastova, Valentina, Chris Greenwell, H., Dong, Zhentao, Zhao, Rixin, Liu, Jinzhong

“…•Automatic identification of inorganic and organic pores is achieved.•Optimized algorithm for organic pore discrimination thresholds is established.•Multiple…”
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Ion adsorption at clay-mineral surfaces; the Hofmeister series for hydrated smectite minerals by Underwood, Thomas, Erastova, Valentina, Greenwell, H. Chris

“…Many important properties of clay minerals are defined by the species of charge-balancing cation. Phenomena such as clay swelling and cation exchange depend on…”
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Serpentinization: Connecting Geochemistry, Ancient Metabolism and Industrial Hydrogenation by Preiner, Martina, Xavier, Joana C, Sousa, Filipa L, Zimorski, Verena, Neubeck, Anna, Lang, Susan Q, Greenwell, H Chris, Kleinermanns, Karl, Tüysüz, Harun, McCollom, Tom M, Holm, Nils G, Martin, William F

“…Rock⁻water⁻carbon interactions germane to serpentinization in hydrothermal vents have occurred for over 4 billion years, ever since there was liquid water on…”
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Thermal Evolution of Natural Layered Double Hydroxides: Insight from Quintinite, Hydrotalcite, Stichtite, and Iowaite as Reference Samples for CO3- and Cl-Members of the Hydrotalcite Supergroup by Elena S. Zhitova, H. Chris Greenwell, Mariya G. Krzhizhanovskaya, David C. Apperley, Igor V. Pekov, Victor N. Yakovenchuk

“…In Situ high-temperature powder X-ray diffraction experiments were undertaken for the coarse crystalline natural layered double hydroxides (LDHs) quintinite,…”
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Reduced to Hierarchy: Carbon Filament-Supported Mixed Metal Oxide Nanoparticles by Manohara, G. V, Whiting, Andrew, Greenwell, H. Chris

“…We describe a one-pot synthesis method for carbon filament-supported mixed metal oxide nanoparticles. The thermal intracrystalline reaction of…”
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Determinants of household safe drinking water practices in Kabul, Afghanistan: New insights from behavioural survey data by Hamidi, Mohammad Daud, Haenssgen, Marco J., Greenwell, H. Chris

“…•Household water treatment technology can mitigate water-borne disease risks.•COM-B behaviour change model was employed to examine HWT determinants.•Reflective…”
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Retention and transport of PFOA and its fluorinated substitute, GenX, through water-saturated soil columns by Liu, Guanhong, Usman, Muhammad, Luo, Tao, Biard, Pierre-François, Lin, Kuangfei, Greenwell, H. Chris, Hanna, Khalil

“…Perfluoro-2-propoxypropanoic acid (GenX) has emerged as a substitute for perfluorooctanoic acid (PFOA) especially since PFOA was listed among the persistent…”
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Translocation of isotopically distinct macroalgae: A route to low-cost biomonitoring? by Gröcke, Darren R., Racionero-Gómez, Blanca, Marschalek, James W., Greenwell, H. Chris

“…Nitrogen stable isotope ratios (δ15N) in macroalgae are often used to identify sources of nitrogenous pollution in fluvial and estuarine settings. This…”
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Understanding surface interactions in aqueous miscible organic solvent treated layered double hydroxides by Erastova, Valentina, Degiacomi, Matteo T, O'Hare, Dermot, Greenwell, H. Chris

“…Layered materials are of interest for use in a wealth of technological applications, many of which require a high surface area for optimal properties and…”
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Computer Simulation Study of the Structural Stability and Materials Properties of DNA-Intercalated Layered Double Hydroxides by Thyveetil, Mary-Ann, Coveney, Peter V, Greenwell, H. Chris, Suter, James L

“…The intercalation of DNA into layered double hydroxides (LDHs) has various applications, including drug delivery for gene therapy and origins of life studies…”
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Large-Scale Molecular Dynamics Study of Montmorillonite Clay:  Emergence of Undulatory Fluctuations and Determination of Material Properties by Suter, James L, Coveney, Peter V, Greenwell, H. Chris, Thyveetil, Mary-Ann

“…Large-scale atomistic simulations, which we define as containing more than 100 000 atoms, are becoming more commonplace as computational resources increase and…”
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Understanding the Swelling Behavior of Modified Nanoclay Filler Particles in Water and Ethanol by Metz, Sebastian, Anderson, Richard L, Geatches, Dawn L, Suter, James L, Lines, Robert, Greenwell, H. Chris

“…Clay–polymer nanocomposite materials have gained much attention owing to their low weight ratio of filler to reinforcement properties, delivering lightweight…”
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Morphology and elastic modulus of novel poly[oligo(ethylene glycol) diacrylate]-montmorillonite nanocomposites by Chen, Biqiong, Bowden, Allen A., Greenwell, H. Chris, Boulet, Pascal, Coveney, Peter V., Whiting, Andrew, Evans, Julian R. G.

“…Novel thermosetting poly[oligo(ethylene glycol) diacrylate]‐sodium montmorillonite nanocomposites containing a range of clay volume fractions were prepared by…”
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Interlayer Structure and Bonding in Nonswelling Primary Amine Intercalated Clays by Greenwell, H. Chris, Harvey, Matthew J, Boulet, Pascal, Bowden, Allen A, Coveney, Peter V, Whiting, Andy

“…Preparation of industrially useful clay−polymer nanocomposite materials often requires the dispersal of clay particles within a polymer matrix. The degree to…”
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Revealing crucial effects of reservoir environment and hydrocarbon fractions on fluid behaviour in kaolinite pores by Zhao, Rixin, Xue, Haitao, Lu, Shuangfang, Greenwell, H. Chris, Erastova, Valentina

“…Interactions of hydrocarbons (HCs) and clay surfaces are responsible for fluid behaviour within shale reservoirs. These interactions are affected by the…”
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Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces by Underwood, Thomas, Erastova, Valentina, Greenwell, H. Chris

“…In this study, classical molecular dynamics simulations have been used to understand the key interactions and surface structure of a set of organic molecules…”
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Molecular Dynamic Simulations of Montmorillonite–Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery by Underwood, Thomas, Erastova, Valentina, Cubillas, Pablo, Greenwell, H. Chris

“…Enhanced oil recovery is becoming commonplace in order to maximize recovery from oil fields. One of these methods, low-salinity enhanced oil recovery (EOR),…”
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DynDen: Assessing convergence of molecular dynamics simulations of interfaces by Degiacomi, Matteo T., Tian, Shansi, Greenwell, H. Chris, Erastova, Valentina

“…Molecular dynamics is a simulation technique used to predict the physical properties of systems based on their chemical structure and evolution of their atomic…”
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