Systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations
SP Kadaoluwa Pathirannahalage… - Journal of Chemical …, 2021 - ACS Publications
Water is a unique solvent that is ubiquitous in biology and present in a variety of solutions,
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …
Water-use efficiency and productivity trends in Australian irrigated cotton: a review
G Roth, G Harris, M Gillies, J Montgomery… - Crop and Pasture …, 2013 - CSIRO Publishing
The aim of this review is to report changes in irrigated cotton water use from research
projects and on-farm practice-change programs in Australia, in relation to both plant-based …
projects and on-farm practice-change programs in Australia, in relation to both plant-based …
Localized interfacial activation effect within interconnected porous photothermal matrix to promote solar-driven water evaporation
J Zhang, J Ma, D Liu, D Liu, Y Han, Y Xu… - Journal of Materials …, 2022 - pubs.rsc.org
Herein, a localized interfacial activation strategy is proposed to promote solar evaporation.
Considering that surfactants can weaken water interaction but on the other hand block …
Considering that surfactants can weaken water interaction but on the other hand block …
Salting out, non-ideality and synergism enhance surfactant efficiency in atmospheric aerosols
M El Haber, C Ferronato, A Giroir-Fendler, L Fine… - Scientific Reports, 2023 - nature.com
In Earth's atmosphere, the surface tension of sub-micron aerosol particles is suspected to
affect their efficiency in becoming cloud droplets. But this quantity cannot be measured …
affect their efficiency in becoming cloud droplets. But this quantity cannot be measured …
On hexagonal orientation of fatty alcohols in monolayers at the air/water interface: quantum-chemical approach
In the framework of the quantum chemical PM3 method, the monolayers of the aliphatic
alcohols C n H2 n+ 1OH (n= 6–16) of the hexagonal monolayer structure at the air/water …
alcohols C n H2 n+ 1OH (n= 6–16) of the hexagonal monolayer structure at the air/water …
[HTML][HTML] Evaporation retardation by monomolecular layers: An experimental study at the Aji reservoir (India)
It is an established fact that huge quantities of water are lost from lakes, reservoirs and soils
by evaporation. This assumes greater significance in arid and semi-arid regions around the …
by evaporation. This assumes greater significance in arid and semi-arid regions around the …
[HTML][HTML] Description of surfactant 2D monolayer formation at the air/water interface within semiempirical quantum chemistry
ES Kartashynska, D Vollhardt - JCIS Open, 2024 - Elsevier
The review discusses the development of a quantum chemical approach for calculating the
thermodynamic clusterization parameters of surfactants at the air/water interface. It …
thermodynamic clusterization parameters of surfactants at the air/water interface. It …
Establishing a model organic film of low volatile compound mixture on aqueous aerosol surface
S Li, S Cheng, L Du, W Wang - Atmospheric Environment, 2019 - Elsevier
Long chain fatty acids and alcohols are low volatile species in continental and marine
aerosols. We established a surface film model by Langmuir trough to investigate the …
aerosols. We established a surface film model by Langmuir trough to investigate the …
Theoretical description of 2D-cluster formation of nonionic surfactants at the air/water interface
YB Vysotsky, ES Kartashynska, D Vollhardt - Colloid and Polymer Science, 2015 - Springer
Recent progress in modeling of the surfactant behavior from atomistic to continuous at the
air/water interface across different space-time scales is reviewed. Advantages and …
air/water interface across different space-time scales is reviewed. Advantages and …
Understanding the role of monolayers in retarding evaporation from water storage bodies
Retardation of evaporation by monomolecular films by a 'barrier model'does not explain the
effect of air velocity on relative evaporation rates in the presence and absence of such films …
effect of air velocity on relative evaporation rates in the presence and absence of such films …