Influence of Chemical Structure of Fluorinated Surfactants on the Air/Water Interface Properties

被引:0
作者
Xu, Yuan [1 ]
Jing, Xianwu [1 ]
Zhou, Lang [2 ]
Tang, Yongfan [1 ]
Xiao, Yongjun [3 ]
机构
[1] PetroChina Southwest Oil & Gasfield Co, Res Inst Nat Gas Technol, Chengdu, Peoples R China
[2] PetroChina Southwest Oil & Gasfield Co, Chengdu, Peoples R China
[3] Sichuan Changning Nat Gas Dev Co Ltd, Chengdu, Peoples R China
关键词
density functional theory; gemini-fluorocarbon surfactants; interface formation energy; surface tension; OIL; ADSORPTION; DYNAMICS; TENSION; CHAIN; PH;
D O I
10.1007/s11237-023-09767-4
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The formation heats for a number of gemini fluorocarbon surfactants have been estimated using density functional theory (DFT), the values of air/water interface formation energies (IFE) have been compared. It is shown that the fluorocarbon surfactants can efficiently reduce the surface tension of the air/water interface. One of the representatives of the surfactants, possessing the highest IFE value (in absolute value), has been prepared and its critical micelle concentration and the corresponding surface tension have been experimentally determined.
引用
收藏
页码:66 / 74
页数:9
相关论文
共 40 条
[1]   Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers [J].
Abraham, Mark James ;
Murtola, Teemu ;
Schulz, Roland ;
Páll, Szilárd ;
Smith, Jeremy C. ;
Hess, Berk ;
Lindah, Erik .
SoftwareX, 2015, 1-2 :19-25
[2]   Removal of fluorinated surfactants by reverse osmosis - Role of surfactants in membrane fouling [J].
Baudequin, Clement ;
Mai, Zhaohuan ;
Rakib, Mohammed ;
Deguerry, Isabelle ;
Severac, Romain ;
Pabon, Martial ;
Couallier, Estelle .
JOURNAL OF MEMBRANE SCIENCE, 2014, 458 :111-119
[3]   A WELL-BEHAVED ELECTROSTATIC POTENTIAL BASED METHOD USING CHARGE RESTRAINTS FOR DERIVING ATOMIC CHARGES - THE RESP MODEL [J].
BAYLY, CI ;
CIEPLAK, P ;
CORNELL, WD ;
KOLLMAN, PA .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (40) :10269-10280
[4]   B97-3c: A revised low-cost variant of the B97-D density functional method [J].
Brandenburg, Jan Gerit ;
Bannwarth, Christoph ;
Hansen, Andreas ;
Grimme, Stefan .
JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (06)
[5]  
Buck R.C., 2012, POLYFLUORINATED CHEM, P1
[6]   Canonical sampling through velocity rescaling [J].
Bussi, Giovanni ;
Donadio, Davide ;
Parrinello, Michele .
JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (01)
[7]   ADSORPTION DYNAMICS OF SURFACTANTS AT THE AIR/WATER INTERFACE - A CRITICAL-REVIEW OF MATHEMATICAL-MODELS, DATA, AND MECHANISMS [J].
CHANG, CH ;
FRANSES, EI .
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 1995, 100 :1-45
[8]   Facile synthesis, surface activity, wettability and ultrahigh foaming properties of novel nonionic Gemini fluorocarbon surfactants [J].
Chen, Cai-Lian ;
Liao, Yi-Fan ;
Lu, Feng ;
Zheng, Yu-Sen ;
Peng, Ying-Ying ;
Ding, Chong-Wei ;
Tong, Qing-Xiao .
JOURNAL OF MOLECULAR LIQUIDS, 2020, 302
[9]   Identification of Novel Fluorinated Surfactants in Aqueous Film Forming Foams and Commercial Surfactant Concentrates [J].
D'Agostino, Lisa A. ;
Mabury, Scott A. .
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2014, 48 (01) :121-129
[10]   Effects of fluorocarbon surfactant chain structure on stability of water-in-carbon dioxide microemulsions. Links between aqueous surface tension and microemulsion stability [J].
Eastoe, J ;
Paul, A ;
Downer, A ;
Steytler, DC ;
Rumsey, E .
LANGMUIR, 2002, 18 (08) :3014-3017