Challenges and future of chemical assisted heavy oil recovery processes
The primary method for heavy oil and bitumen production across the world is still in-situ
steam-based technology. There are some drawbacks associated with steam-driven heavy …
steam-based technology. There are some drawbacks associated with steam-driven heavy …
Modeling and simulations of polymers: a roadmap
TE Gartner III, A Jayaraman - Macromolecules, 2019 - ACS Publications
Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …
engineering community. These computational approaches enable predictions and provide …
Flotation surface chemistry of water-soluble salt minerals: from experimental results to new perspectives
The flotation separation of water-soluble salt minerals has to be conducted under the
condition of saturation in brines which represents a challenging but exciting topic of colloid …
condition of saturation in brines which represents a challenging but exciting topic of colloid …
Effect of water film on oil flow in quartz nanopores from molecular perspectives
The knowledge about the underlying mechanisms of oil transport behavior with the
presence of thin water film in hydrophilic quartz nanopores is crucial to oil migration and …
presence of thin water film in hydrophilic quartz nanopores is crucial to oil migration and …
[HTML][HTML] Interfacial tension of carbon dioxide-water under conditions of CO2 geological storage and enhanced geothermal systems: A molecular dynamics study on the …
M Shiga, T Morishita, M Sorai - Fuel, 2023 - Elsevier
In recent years, CO 2 injection into geological formations under a wide range of temperature
conditions, including super-hot geothermal reservoirs, has attracted much attention (ie …
conditions, including super-hot geothermal reservoirs, has attracted much attention (ie …
Molecular dynamics simulation investigation on the anti-freezing mechanisms of CSH-GS/GO interfaces
Although graphene sheet (GS) and graphene oxide (GO) are two popular additives for
improving the frost resistance of concrete, unclear anti-icing mechanisms of GS/GO cross …
improving the frost resistance of concrete, unclear anti-icing mechanisms of GS/GO cross …
Discovery of novel coumarin analogs against the α-glucosidase protein target of Diabetes mellitus: Pharmacophore-based QSAR, docking, and molecular dynamics …
Diabetes mellitus (DM) is a chronic metabolic disease, the third killer of mankind. The finding
of potent drugs against diabetes remains challenging. In the present study, coumarin …
of potent drugs against diabetes remains challenging. In the present study, coumarin …
Water/oil interfacial tension reduction–an interfacial entropy driven process
T Bui, H Frampton, S Huang, IR Collins… - Physical Chemistry …, 2021 - pubs.rsc.org
The interfacial tension (IFT) of a fluid–fluid interface plays an important role in a wide range
of applications and processes. When low IFT is desired, surface active compounds (eg …
of applications and processes. When low IFT is desired, surface active compounds (eg …
On the transferability of ion parameters to the TIP4P/2005 water model using molecular dynamics simulations
MF Döpke, OA Moultos, R Hartkamp - The Journal of chemical physics, 2020 - pubs.aip.org
Countless molecular dynamics studies have relied on available ion and water force field
parameters to model aqueous electrolyte solutions. The TIP4P/2005 model has proven itself …
parameters to model aqueous electrolyte solutions. The TIP4P/2005 model has proven itself …
Atomistic insight into salinity dependent preferential binding of polar aromatics to calcite/brine interface: implications to low salinity waterflooding
This paper resolve the salinity-dependent interactions of polar components of crude oil at
calcite-brine interface in atomic resolution. Molecular dynamics simulations carried out on …
calcite-brine interface in atomic resolution. Molecular dynamics simulations carried out on …