Modeling of n ‐Alkanes on Calcite/Dolomite by Molecular Dynamics Simulations and First‐Principles Calculations-Reference-Cited by-同舟云学术

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Modeling of n ‐Alkanes on Calcite/Dolomite by Molecular Dynamics Simulations and First‐Principles Calculations

Published:2021-08-08 Issue:9 Volume:4 Page:2100226
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Adv. Theory Simul.

Author:

Li Huifang¹,Vovusha Hakkim¹,Sharma Sitansh¹,Singh Nirpendra¹,Schwingenschlögl Udo¹^ORCID

Affiliation:

1. Physical Sciences and Engineering Division (PSE) King Abdullah University of Science and Technology (KAUST) Thuwal 23955–6900 Saudi Arabia

Publisher

Wiley

Subject

Multidisciplinary,Modeling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202100226

Reference49 articles.

1. Reactions on Mineral Dust

2. Structural Control of Crystal Nuclei by an Eggshell Protein

3. Calcium Carbonate Polyamorphism and Its Role in Biomineralization: How Many Amorphous Calcium Carbonates Are There?

4. Mineral CO2 Sequestration by Steel Slag Carbonation

5. The surface chemistry of calcium carbonate minerals in natural waters: An overview

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1. The effect of low salinity water on wettability alteration of oil-wet calcite surfaces;Colloids and Surfaces A: Physicochemical and Engineering Aspects;2024-11

2. Investigation of Light Oil–Rock Interactions Using Molecular Dynamics Simulations;Energy & Fuels;2023-10-06

3. Molecular dynamics of adsorption of hydroxide, sulfate and calcium ions at the interface between C-S-H and carbonate crystals;Materials Today Communications;2023-08

4. Influence of ionic composition in aqueous solution on wettability of rock surface-experiment and economics evaluation;Arabian Journal of Chemistry;2023-05

5. Unravelling the impact of oily alkane molecules on the optical properties of the calcite(10.4) surface;Physical Chemistry Chemical Physics;2023

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