Static and dynamic properties of decane/water microemulsions stabilized by cetylpyridinium chloride cationic surfactant and octanol cosurfactant

被引:9
作者
Lemaalem, M. [1 ]
Ahfir, R. [2 ]
Derouiche, A. [1 ]
Filali, M. [2 ]
机构
[1] Hassan II Univ, Lab Phys Polymeres & Phenomenes Crit Sci, Fac Ben MSik, POB 7955, Casablanca, Morocco
[2] Sidi Mohamed Ben Abdellah Univ, Fac Sci Dhar El Mahraz, Lab Theoret & Appl Phys LPTA, BP 1796 Fes, Atlas, Morocco
关键词
INTEGRAL-EQUATION THEORY; DIBLOCK COPOLYMERS; PHASE-BEHAVIOR; COLLOIDS; DELIVERY; THERMODYNAMICS; EMULSIONS; FORCES; YUKAWA;
D O I
10.1039/d0ra06313d
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Molecular dynamics simulation (MD) is used to study the static and dynamic properties of positively charged decane/water microemulsions, for various volume fractions phi(2.8%, 6.98%, 14%, and 26.5%). An effective hybrid potential combining three potentials, namely the hard-sphere repulsive potential, the van der Waals attractive potential, and the Yukawa repulsive potential, is used to describe the microemulsion interactions. The microemulsion shape is determined using the renormalized spectra in Porod representation. The appropriate potential parameters are tested using the Ornstein-Zernike integral equation approach with the Hypernetted Chain (HNC) closure relation by a comparison between the structure factor calculated from HNC and that obtained from Small Angle Neutron Scattering experiments (SANS). Thus, the micro arrangements of microemulsions have been analyzed using the pair correlation functiong(r) and the structure factorS(q) obtained from HNC, SANS, and MD simulation using these parameters. The microemulsion dynamic properties were discussed using the mean-square displacement (MSD) and the diffusion coefficientD(c)calculated from MD simulations.
引用
收藏
页码:36155 / 36163
页数:9
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[1]   Microemulsion based synthesis of promoted Fe-Co/MgO nanocatalyst: Influence of calcination atmosphere on the physicochemical properties, activity and light olefins selectivity for hydrogenation of carbon monoxide [J].
Akbari, Maryam ;
Mirzaei, Ali Akbar ;
Arsalanfar, Maryam .
MATERIALS CHEMISTRY AND PHYSICS, 2020, 249
[2]  
Allen M.P., 2004, Comput. Soft Matter Synth. Polym. Proteins, V23, P1
[3]  
Allen M. P., 1987, COMPUTER SIMULATION
[4]   Study of cage effect and subdiffusion in Pickering emulsions from Molecular Dynamics simulations [J].
Badia, M. ;
El-Moudny, S. ;
Benhamou, M. ;
El Ossmani, M. .
JOURNAL OF MOLECULAR LIQUIDS, 2017, 240 :1-13
[5]   Microstructure in a ternary microemulsion studied by small angle neutron scattering [J].
BaggerJorgensen, H ;
Olsson, U ;
Mortensen, K .
LANGMUIR, 1997, 13 (06) :1413-1421
[6]   INABILITY OF THE HYPERNETTED-CHAIN INTEGRAL-EQUATION TO EXHIBIT A SPINODAL LINE [J].
BELLONI, L .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (10) :8080-8095
[7]   Chemically tuned amphiphilic diblock copolymers dispersed in water: From colloids to soluble macromolecules [J].
Bendejacq, DD ;
Ponsinet, V ;
Joanicot, M .
LANGMUIR, 2005, 21 (05) :1712-1718
[8]   Structure of colloidal complexes obtained from neutral/polyelectrolyte copolymers and oppositely charged surfactants [J].
Berret, JF ;
Cristobal, G ;
Hervé, P ;
Oberdisse, J ;
Grillo, I .
EUROPEAN PHYSICAL JOURNAL E, 2002, 9 (04) :301-311
[9]   Tunable Assembly of Heterogeneously Charged Colloids [J].
Bianchi, Emanuela ;
Likos, Christos N. ;
Kahl, Gerhard .
NANO LETTERS, 2014, 14 (06) :3412-3418
[10]   Integral equations theory for two-dimensional systems involving nanoparticles [J].
Borowko, Malgorzata ;
Rzysko, Wojciech ;
Sokolowski, Stefan ;
Staszewski, Tomasz .
MOLECULAR PHYSICS, 2017, 115 (9-12) :1065-1073