Monte Carlo Simulation of Inlayer Structure Formation in Thin Liquid Films
The structure formation in free liquid films containing surfactant micelles or other colloidal particles is of fundamental importance in colloid and interface science and its applications. Experiments on thinning of single flat or curved symmetrical liquid films and asymmetrical or pseudoemulsion fi...
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| Veröffentlicht in: | Langmuir 1994-12, Vol.10 (12), p.4403-4408 |
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| container_title | Langmuir |
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| creator | Chu, X. L Nikolov, A. D Wasan, D. T |
| description | The structure formation in free liquid films containing surfactant micelles or other colloidal particles is of fundamental importance in colloid and interface science and its applications. Experiments on thinning of single flat or curved symmetrical liquid films and asymmetrical or pseudoemulsion films formed from colloidal dispersions show that these films thin in a stepwise manner. We present here results of our grand-canonical-ensemble Monte Carlo simulations using both the hard sphere and Leonard-Jones potentials, which not only verify the presence of particle layering inside the free thinning films but also reveal for the first time that, depending on the film thickness and particle volume fraction, there exists within the particle layers, in the direction parallel to the film surfaces, an ordered 2-D hexagonal structure. The calculated, in-layer radial distribution functions show that the in-layer structure transition depends on the film thickness and the position of the layer inside the film. 39 refs. |
| doi_str_mv | 10.1021/la00024a002 |
| format | Article |
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L ; Nikolov, A. D ; Wasan, D. T</creator><creatorcontrib>Chu, X. L ; Nikolov, A. D ; Wasan, D. T</creatorcontrib><description>The structure formation in free liquid films containing surfactant micelles or other colloidal particles is of fundamental importance in colloid and interface science and its applications. Experiments on thinning of single flat or curved symmetrical liquid films and asymmetrical or pseudoemulsion films formed from colloidal dispersions show that these films thin in a stepwise manner. We present here results of our grand-canonical-ensemble Monte Carlo simulations using both the hard sphere and Leonard-Jones potentials, which not only verify the presence of particle layering inside the free thinning films but also reveal for the first time that, depending on the film thickness and particle volume fraction, there exists within the particle layers, in the direction parallel to the film surfaces, an ordered 2-D hexagonal structure. The calculated, in-layer radial distribution functions show that the in-layer structure transition depends on the film thickness and the position of the layer inside the film. 39 refs.</description><identifier>ISSN: 0743-7463</identifier><identifier>EISSN: 1520-5827</identifier><identifier>DOI: 10.1021/la00024a002</identifier><identifier>CODEN: LANGD5</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>360602 -- Other Materials-- Structure & Phase Studies ; 990200 -- Mathematics & Computers ; CALCULATION METHODS ; Chemistry ; Colloidal state and disperse state ; COLLOIDS ; DISPERSIONS ; Exact sciences and technology ; FLUIDS 400201 -- Chemical & Physicochemical Properties ; GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE ; General and physical chemistry ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; LAYERS ; LIQUIDS ; MATERIALS SCIENCE ; MATHEMATICAL MODELS ; MICELLAR SYSTEMS ; Micelles. 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L</creatorcontrib><creatorcontrib>Nikolov, A. D</creatorcontrib><creatorcontrib>Wasan, D. T</creatorcontrib><title>Monte Carlo Simulation of Inlayer Structure Formation in Thin Liquid Films</title><title>Langmuir</title><addtitle>Langmuir</addtitle><description>The structure formation in free liquid films containing surfactant micelles or other colloidal particles is of fundamental importance in colloid and interface science and its applications. Experiments on thinning of single flat or curved symmetrical liquid films and asymmetrical or pseudoemulsion films formed from colloidal dispersions show that these films thin in a stepwise manner. We present here results of our grand-canonical-ensemble Monte Carlo simulations using both the hard sphere and Leonard-Jones potentials, which not only verify the presence of particle layering inside the free thinning films but also reveal for the first time that, depending on the film thickness and particle volume fraction, there exists within the particle layers, in the direction parallel to the film surfaces, an ordered 2-D hexagonal structure. The calculated, in-layer radial distribution functions show that the in-layer structure transition depends on the film thickness and the position of the layer inside the film. 39 refs.</description><subject>360602 -- Other Materials-- Structure & Phase Studies</subject><subject>990200 -- Mathematics & Computers</subject><subject>CALCULATION METHODS</subject><subject>Chemistry</subject><subject>Colloidal state and disperse state</subject><subject>COLLOIDS</subject><subject>DISPERSIONS</subject><subject>Exact sciences and technology</subject><subject>FLUIDS 400201 -- Chemical & Physicochemical Properties</subject><subject>GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE</subject><subject>General and physical chemistry</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>LAYERS</subject><subject>LIQUIDS</subject><subject>MATERIALS SCIENCE</subject><subject>MATHEMATICAL MODELS</subject><subject>MICELLAR SYSTEMS</subject><subject>Micelles. Thin films</subject><subject>MICROSTRUCTURE</subject><subject>MONTE CARLO METHOD</subject><subject>SURFACTANTS</subject><issn>0743-7463</issn><issn>1520-5827</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1994</creationdate><recordtype>article</recordtype><recordid>eNpt0MtqGzEUBmBRGqjrdpUXGEogizKp7pKXwcRtEucCdkl34lSjIUpmRo6kgfrtozIhZJHN0eL_jjj8CB0SfEIwJT86wBhTXib9gGZEUFwLTdVHNMOKs1pxyT6hzyk9FLZgfDFDF1dhyK5aQuxCtfH92EH2YahCW50PHexdrDY5jjaP0VWrEPsp9kO1vS9j7Z9G31Qr3_XpCzpooUvu68s7R79XZ9vlr3p98_N8ebqugVOWa43pX66Aa0k0KN5oK7mzGFgjBAZCqbO2kW0JWkywFsLpRkkmSNNIBlKxOfo2_RtS9iZZn529t2EYnM1GSqE5ZwV9n5CNIaXoWrOLvoe4NwSb_12ZN10VfTTpHSQLXRthsD69rjC2wIzJwuqJ-ZTdv9cY4qMpdylhtrcbg7W6vLv-sza3xR9PHmwyD2GMQ-nl3QOeAYFlgtM</recordid><startdate>19941201</startdate><enddate>19941201</enddate><creator>Chu, X. L</creator><creator>Nikolov, A. D</creator><creator>Wasan, D. 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T</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Monte Carlo Simulation of Inlayer Structure Formation in Thin Liquid Films</atitle><jtitle>Langmuir</jtitle><addtitle>Langmuir</addtitle><date>1994-12-01</date><risdate>1994</risdate><volume>10</volume><issue>12</issue><spage>4403</spage><epage>4408</epage><pages>4403-4408</pages><issn>0743-7463</issn><eissn>1520-5827</eissn><coden>LANGD5</coden><abstract>The structure formation in free liquid films containing surfactant micelles or other colloidal particles is of fundamental importance in colloid and interface science and its applications. Experiments on thinning of single flat or curved symmetrical liquid films and asymmetrical or pseudoemulsion films formed from colloidal dispersions show that these films thin in a stepwise manner. We present here results of our grand-canonical-ensemble Monte Carlo simulations using both the hard sphere and Leonard-Jones potentials, which not only verify the presence of particle layering inside the free thinning films but also reveal for the first time that, depending on the film thickness and particle volume fraction, there exists within the particle layers, in the direction parallel to the film surfaces, an ordered 2-D hexagonal structure. The calculated, in-layer radial distribution functions show that the in-layer structure transition depends on the film thickness and the position of the layer inside the film. 39 refs.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><doi>10.1021/la00024a002</doi><tpages>6</tpages></addata></record> |
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| ispartof | Langmuir, 1994-12, Vol.10 (12), p.4403-4408 |
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| language | eng |
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| source | ACS Publications |
| subjects | 360602 -- Other Materials-- Structure & Phase Studies 990200 -- Mathematics & Computers CALCULATION METHODS Chemistry Colloidal state and disperse state COLLOIDS DISPERSIONS Exact sciences and technology FLUIDS 400201 -- Chemical & Physicochemical Properties GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE General and physical chemistry INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY LAYERS LIQUIDS MATERIALS SCIENCE MATHEMATICAL MODELS MICELLAR SYSTEMS Micelles. Thin films MICROSTRUCTURE MONTE CARLO METHOD SURFACTANTS |
| title | Monte Carlo Simulation of Inlayer Structure Formation in Thin Liquid Films |
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