Molecular design of silicone polyether antifoaming agents for lubricating oil based on steered molecular dynamics simulations

Kang Zhou

doi:10.1016/j.cjche.2026.03.009

Molecular design of silicone polyether antifoaming agents for lubricating oil based on steered molecular dynamics simulations

2026-04-17

0

PRE

AI

K

Kang Zhou

J

Jianxin Wang

H

Hai Yu

X

Xinhao Che

张

张磊 (Lei Zhang) *

DOI：10.1016/j.cjche.2026.03.009

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Abstract

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• Modelling oil-based foams with a “sandwich” model. • Steered molecular dynamics simulations were used to simulate foam rupture processes. • The side chain structure of antifoaming agents was designed via molecular simulations.

Keywords:

silicone polyether

antifoaming agents

steered molecular dynamics

foam rupture

lubricating oil

Molecular design of silicone polyether antifoaming agents for lubricating oil based on steered molecular dynamics simulations

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