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Theoretical and Computational Chemistry

Working Paper

Wetting Properties of the CO2–Water–Calcite System via Molecular Simulations: Shape and Size Effects

Alessandro Silvestri, Evren Ataman, Akin Budi, Susan Stipp, Julian D Gale, Paolo Raiteri

Version 1 posted 13 September 2019

711

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Materials Science

Working Paper

Doping-induced modulation of electronic, optical and wetting properties of CeO2

Damir Mamedov, Smagul Karazhanov

Version 1 posted 31 January 2022

201

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Energy

Working Paper

Dissecting The Salinity-Dependence Of Wettability In Oil/Brine/Calcite System Using Molecular Simulations

Mohamed Alhosani, Arjun Valiya Parambathu, Fernando Miguel Yrazu, Dilip Asthagiri, Walter Chapman

Version 1 posted 31 December 2019

551

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2

Citations

Catalysis

Working Paper

Non-Hydrolytic Sol-Gel Route to a Family of Hybrid Mesoporous Aluminosilicate Ethanol Dehydration Catalysts

Ales Styskalik, Imène Kordoghli, Claude Poleunis, Arnaud Delcorte, Denis Dochain, Zdeněk Moravec, Julius Vida, Tomas Homola, Carmela Aprile, Luca Fusaro, François Devred, Damien Debecker

Version 1 posted 17 December 2020

352

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Materials Science

Working Paper

Demonstrating surface and plasma chemistry with a non-thermal atmospheric plasma

Rainer Ostermann, Marvin Geyer, Julian Meier

Version 1 posted 02 February 2024

63

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Physical Chemistry

Working Paper

Molecular Dynamics Investigation of Nanoscale Hydrophobicity of Polymer Surfaces: What Makes Water Wet?

Hang Zhang, Sankaran Sundaresan, Michael Webb

Version 2 posted 22 March 2023

337

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Theoretical and Computational Chemistry

Working Paper

Force field parameterization and molecular dynamics simulation of epoxy resin interaction with boron nitride nanotube surfaces

Swapnil Sambhaji Bamane, Krishan Kanhaiya, Hendrik Heinz, Gregory Odegard

Version 1 posted 26 July 2022

445

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1

Citations

Materials Chemistry

Working Paper

Accurate and robust static hydrophobic contact angle measurements using machine learning

Daniel Shaw, Ran Liang, Tian Zheng, Jianzhong Qi, Joseph Berry

Version 1 posted 26 March 2024

54

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Physical Chemistry

Working Paper

Calcite surfaces modified with carboxylic acids (C2 to C18): layer organization, wettability, and stability properties

Natalia Wojas, Eric Tyrode, Robert Corkery, Marie Ernstsson, Viveca Wallqvist, Mikael Järn, Agne Swerin, Joachim Schoelkopf, Patrick A. C. Gane, Per Claesson

Version 1 posted 09 May 2023

149

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Refine Search

9 results in Contact Angle in Keywords: Contact Angle

Wetting Properties of the CO2–Water–Calcite System via Molecular Simulations: Shape and Size Effects

Doping-induced modulation of electronic, optical and wetting properties of CeO2

Dissecting The Salinity-Dependence Of Wettability In Oil/Brine/Calcite System Using Molecular Simulations

Non-Hydrolytic Sol-Gel Route to a Family of Hybrid Mesoporous Aluminosilicate Ethanol Dehydration Catalysts

Demonstrating surface and plasma chemistry with a non-thermal atmospheric plasma

Molecular Dynamics Investigation of Nanoscale Hydrophobicity of Polymer Surfaces: What Makes Water Wet?

Force field parameterization and molecular dynamics simulation of epoxy resin interaction with boron nitride nanotube surfaces

Accurate and robust static hydrophobic contact angle measurements using machine learning

Calcite surfaces modified with carboxylic acids (C2 to C18): layer organization, wettability, and stability properties

9 results in Keywords: Contact Angle