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 …

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 …

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 …

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 …

On hexagonal orientation of fatty alcohols in monolayers at the air/water interface: quantum-chemical approach

ES Fomina, YB Vysotsky, EA Belyaeva… - The Journal of …, 2014 - ACS Publications
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 …

[HTML][HTML] Evaporation retardation by monomolecular layers: An experimental study at the Aji reservoir (India)

K Panjabi, R Rudra, P Goel - Open Journal of Civil Engineering, 2016 - scirp.org
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 …

[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 …

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 …

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 …

Understanding the role of monolayers in retarding evaporation from water storage bodies

CM Fellows, PA Coop, DW Lamb, RC Bradbury… - Chemical Physics …, 2015 - Elsevier
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 …