DICP OpenIR
Determination of structure and energetics for Gibbs surface adsorption layers of binary liquid mixture 1. Acetone + water
Chen, H; Gan, W; Wu, BH; Wut, D; Guo, Y; Wang, HF
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
2005-04-28
Volume109Issue:16Pages:8053-8063
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordSUM-FREQUENCY GENERATION ; ORIENTATION-INSENSITIVE METHODOLOGY ; H STRETCHING REGION ; NORMAL-ALKYL CHAINS ; X-RAY REFLECTIVITY ; VIBRATIONAL SPECTROSCOPY ; 2ND-HARMONIC GENERATION ; MOLECULAR-DYNAMICS ; VAPOR INTERFACE ; WATER-INTERFACE
AbstractThe orientation, structure, and energetics of the vapor/acetone-water interface are studied with sum frequency generation vibrational spectroscopy (SFG-VS). We used the polarization null angle (PNA) method in SFG-VS to accurately determine the interfacial acetone molecule orientation, and we found that the acetone molecule has its C=O group pointing into bulk phase, one CH(3) group pointing up from the bulk, and the other CH3 group pointing into the bulk phase. This well-ordered interface layer induces an antiparallel structure in the second layer through dimer formation from either dipolar or hydrogen bond interactions. With a double-layer adsorption model (DAM) and Langmuir isotherm, the adsorption free energies for the first and second layer are determined as Delta G degrees(ads,1) = -1.9 +/- 0.2 kcal/mol and Delta G degrees(ads,2) = -0.9 +/- 0.2 kcal /mol, respectively. Since Delta G degrees(ads,1) is much larger than the thermal energy kT = 0.59 kcal/mol, and Delta G degrees(ads,2) is close to kT, the second layer has to be less ordered. Without either strong dipolar or hydrogen bonding interactions between the second and the third layer, the third layer should be randomly thermalized as in the bulk liquid. Therefore, the thickness of the interface is not more than two layers thick. These results are consistent with previous MD simulations for the vapor/pure acetone interface, and undoubtedly provide direct microscopic structural evidences and new insight for the understanding of liquid and liquid mixture interfaces. The experimental techniques and quantitative analysis methodology used for detailed measurement of the liquid mixture interfaces in this report can also be applied to liquid interfaces, as well as other molecular interfaces in general.
Language英语
WOS IDWOS:000228603700065
Citation statistics
Cited Times:51[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/139665
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Chen, H,Gan, W,Wu, BH,et al. Determination of structure and energetics for Gibbs surface adsorption layers of binary liquid mixture 1. Acetone + water[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2005,109(16):8053-8063.
APA Chen, H,Gan, W,Wu, BH,Wut, D,Guo, Y,&Wang, HF.(2005).Determination of structure and energetics for Gibbs surface adsorption layers of binary liquid mixture 1. Acetone + water.JOURNAL OF PHYSICAL CHEMISTRY B,109(16),8053-8063.
MLA Chen, H,et al."Determination of structure and energetics for Gibbs surface adsorption layers of binary liquid mixture 1. Acetone + water".JOURNAL OF PHYSICAL CHEMISTRY B 109.16(2005):8053-8063.
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