ICCAS OpenIR
Molecular Dynamics Simulations of Film Rupture in Water/Surfactant Systems
Yang, Wenhong; Wu, Rongliang; Kong, Bin; Zhang, Xiongfei; Yang, Xiaozhen
2009-06-18
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
ISSN1520-6106
Volume113Issue:24Pages:8332-8338
AbstractMolecular dynamics simulation has been performed on water/surfactant film rupture in order to investigate foam stability. A periodic boundary film model which was simulated in a lateral dimension of 8 x 8 nm(2) for 4 ns was established to stand for a part of a foam bubble. On the basis of critical film thickness, which is the lowest thickness before film rupture, a stability index was calculated to describe the capabilities of surfactants to stabilize water films. We investigated the influence of film size and simulation duration on the critical thickness and proved that our model is reasonable. The stability index versus surfactant concentration curve suggests that the capabilities of three surfactants-linear alkylbenzene sulfonate (LAS), sodium dodecyl sulfate (SDS), and heptaethylene glycol monododecyl ether (C(12)E(7))-in stabilization of water film decrease in the order of SDS > LAS > C(12)E(7). In the present study, the simulated results have been validated by the foam generation and decay experiment results, thus indicating that this method of predicting the stability of water/surfactant film is feasible.
DOI10.1021/jp9010108
Indexed BySCI
Language英语
WOS IDWOS:000266930200019
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:29[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/66434
Collection中国科学院化学研究所
Corresponding AuthorYang, Xiaozhen
AffiliationChinese Acad Sci, Joint Lab Polymer Sci & Mat, Ctr Mol Sci, Inst Chem, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Yang, Wenhong,Wu, Rongliang,Kong, Bin,et al. Molecular Dynamics Simulations of Film Rupture in Water/Surfactant Systems[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2009,113(24):8332-8338.
APA Yang, Wenhong,Wu, Rongliang,Kong, Bin,Zhang, Xiongfei,&Yang, Xiaozhen.(2009).Molecular Dynamics Simulations of Film Rupture in Water/Surfactant Systems.JOURNAL OF PHYSICAL CHEMISTRY B,113(24),8332-8338.
MLA Yang, Wenhong,et al."Molecular Dynamics Simulations of Film Rupture in Water/Surfactant Systems".JOURNAL OF PHYSICAL CHEMISTRY B 113.24(2009):8332-8338.
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