Surfactant-mediated enhancement of liquid permeability in scots pine wood DOI
Runhua Zhang,

Dunrui Cui,

Zhenxin Zhang

et al.

Industrial Crops and Products, Journal Year: 2024, Volume and Issue: 222, P. 119741 - 119741

Published: Sept. 26, 2024

Language: Английский

Salt-acid-surfactant synergistic effects on interfacial characteristics of water/oil systems: A molecular dynamics simulation study DOI

Amirreza Zeighami,

Zahra Kargozarfard,

Nahid Pour Khiabani

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 396, P. 123996 - 123996

Published: Jan. 7, 2024

Language: Английский

Citations

8
NMR and MD Simulations of Non-Ionic Surfactants DOI Creative Commons
Gerd Buntkowsky, Markus M. Hoffmann

Molecules, Journal Year: 2025, Volume and Issue: 30(2), P. 309 - 309

Published: Jan. 14, 2025

Non-ionic surfactants are an important solvent in the field of green chemistry with tremendous application potential. Understanding their phase properties bulk or confined environments is high commercial value. In recent years, combination molecular dynamics (MD) simulations multinuclear solid-state NMR spectroscopy and calorimetric techniques has evolved into most powerful tool for investigation. Showing examples from our groups, present review demonstrates power versatility this approach, which can handle both small model-surfactants like octanol large technical polyethylene glycol (PEG) mixtures reveals otherwise unobtainable knowledge about behavior underlying arrangements.

Language: Английский

Citations

0
Molecular Dynamics Simulation of the Effects of Anionic–Nonionic Surfactants on Interfacial Properties of the Oil–Water Interface DOI Creative Commons
Zhaojun Chen,

Yangwen Zhu,

Jinpan Zhong

et al.

ACS Omega, Journal Year: 2025, Volume and Issue: unknown

Published: March 13, 2025

Surfactant oil drive is a crucially enhanced recovery method that improves rates. The aggregation behavior of surfactant molecules at the oil-water interface significantly influences repulsion. In this study, molecular dynamics simulation used to investigate repellent single and binary surfactants alkanolamides (6501) fatty alcohol polyoxyethylene ether sodium sulfate (AES). characterized by density distribution, interfacial thickness, radial distribution function, tension, generation energy. results reveal dodecanolamide (126501) AES effectively reduce tension. 126501/AES system, film thickness increases 18.08 Å, diffusion coefficient 0.186 Å2/ps. function shows are located 4.2 Å from anionic head AES, which weakens intermolecular forces within layer. energy -96.12 kJ/mol indicates stable interface. Moreover, both tetradecanolamide (146501)/AES systems exhibit excellent resistance metal ions. molecular-level mechanism provides useful guidance for designing recovery.

Language: Английский

Citations

0
Synthesis of New Cationic Dicephalic Surfactants and Their Nonequivalent Adsorption at the Air/Solution Interface DOI Creative Commons
Łukasz Lamch,

Izabella Leszczyńska,

Daria Długowska

et al.

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: March 21, 2025

The interfacial behavior of aqueous solutions newly synthesized 2-alkyl-N,N,N,N′,N′,N′-hexamethylpropan-1,3-ammonium dibromides with decyl, dodecyl, and tetradecyl alkyl chains was investigated both experimentally theoretically. results the surface tension measurements were described using modified quasi-two-dimensional electrolyte (mSTDE) model ionic surfactant adsorption, which supported by molecular dynamics simulations. Our contribution encompasses design, synthesis, characterization a novel class dicephalic-type cationic surfactants, branched on methine motif, possessing two symmetric trimethylammonium groups, constitute double-head extension standard alkyltrimethylammonium salts single-head, single-tail structure. convenient synthetic route final purification steps allowed for high-yield, high-purity production surfactants. Dicephalic-type surfactants demonstrated lower activity higher critical micelle concentration values when compared their single head–single tail counterparts. That can be attributed primarily to presence strong electrostatic repulsive forces within bulky, double-charge headgroups significant counterion condensation. Furthermore, simulations propensity desorption from interface, even in diluted solutions, constrained attainable resulted reduction tension. mSTDE adsorption provided an excellent description experimental isotherms concise set parameters. model's predictive power studies effect inorganic unique approach enabled us gain theoretical explanation devised surfactants' at water/air interface.

Language: Английский

Citations

0
Molecular Dynamics Calculation of Interfacial Tension in a Two-Phase Liquid Hydrocarbon–Water–Surfactant System: From Rarefied to Superdense Surfactant Monolayer DOI Creative Commons
А. А. Ванин, Н. А. Волков, E. N. Brodskaya

et al.

Russian Journal of Physical Chemistry A, Journal Year: 2024, Volume and Issue: 98(9), P. 1997 - 2006

Published: Sept. 1, 2024

Language: Английский

Citations

0
Surfactant-mediated enhancement of liquid permeability in scots pine wood DOI
Runhua Zhang,

Dunrui Cui,

Zhenxin Zhang

et al.

Industrial Crops and Products, Journal Year: 2024, Volume and Issue: 222, P. 119741 - 119741

Published: Sept. 26, 2024

Language: Английский

Citations

0