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Updated: Jun 29, 2025

Accurate Determination of the Equilibrium Surface Tension Values with Area Perturbation Tests
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Accurate Determination of the Equilibrium Surface Tension Values with Area Perturbation Tests

Published on: August 30, 2019

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对界面张力,表面张力和表面活性剂吸附等温的计算预测

Jing Li1, Carlos Amador2, Mark R Wilson1

  • 1Department of Chemistry, Durham University, Stockton Road, Durham, DH1 3LE, UK. mark.wilson@durham.ac.uk.

Physical chemistry chemical physics : PCCP
|April 8, 2024
PubMed
概括

全原子分子动力学 (MD) 模拟准确地预测表面活性剂的界面和表面张力 (IFT/ST). 力量场选择,特别是GAFF-LIPID,以及像TIP3P和OPC4这样的水模型对于可靠的预测至关重要.

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