Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces
Nanoparticles at the fluid interface have become an important topic in the colloid science, and its importance is still increasing rapidly due to its applications both in theoretical science researching and practical industrial usages. In this Final Year Project report, the author will explain the...
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| Other Authors: | |
| Format: | Final Year Project (FYP) |
| Language: | English |
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2016
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| Online Access: | http://hdl.handle.net/10356/66947 |
| _version_ | 1811682732968771584 |
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| author | Zhu, Shao Yuan |
| author2 | Li Shu Zhou |
| author_facet | Li Shu Zhou Zhu, Shao Yuan |
| author_sort | Zhu, Shao Yuan |
| collection | NTU |
| description | Nanoparticles at the fluid interface have become an important topic in the colloid science, and its importance is still increasing rapidly due to its applications both in theoretical science researching and practical industrial usages.
In this Final Year Project report, the author will explain the finished project: Molecular Dynamics Simulation of nanoparticles at fluid interfaces with the aid of Molecular Dynamic simulation software GROMACS. The Molecular Dynamics simulation is a computer-based simulation method which used to study the physical movements of atoms and molecules. The nanoparticles and the solvents are allowed to interact for a fixed period of time, and then the movements of atoms and molecules can be determined by mathematic methods like solving the Newton’s equations. In the simulation study, the author will use the complex shaped nanoparticles covered by different types of thiols surface coatings and immerse them into the water-oil mixture solvent, the results will be analyzed to study how the thiol coatings will affect the interaction between the nanoparticles and fluid interfaces. |
| first_indexed | 2024-10-01T04:01:31Z |
| format | Final Year Project (FYP) |
| id | ntu-10356/66947 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T04:01:31Z |
| publishDate | 2016 |
| record_format | dspace |
| spelling | ntu-10356/669472023-03-04T15:41:04Z Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces Zhu, Shao Yuan Li Shu Zhou School of Materials Science and Engineering DRNTU::Engineering::Materials::Nanostructured materials Nanoparticles at the fluid interface have become an important topic in the colloid science, and its importance is still increasing rapidly due to its applications both in theoretical science researching and practical industrial usages. In this Final Year Project report, the author will explain the finished project: Molecular Dynamics Simulation of nanoparticles at fluid interfaces with the aid of Molecular Dynamic simulation software GROMACS. The Molecular Dynamics simulation is a computer-based simulation method which used to study the physical movements of atoms and molecules. The nanoparticles and the solvents are allowed to interact for a fixed period of time, and then the movements of atoms and molecules can be determined by mathematic methods like solving the Newton’s equations. In the simulation study, the author will use the complex shaped nanoparticles covered by different types of thiols surface coatings and immerse them into the water-oil mixture solvent, the results will be analyzed to study how the thiol coatings will affect the interaction between the nanoparticles and fluid interfaces. Bachelor of Engineering (Materials Engineering) 2016-05-06T06:38:35Z 2016-05-06T06:38:35Z 2016 Final Year Project (FYP) http://hdl.handle.net/10356/66947 en Nanyang Technological University 50 p. application/pdf |
| spellingShingle | DRNTU::Engineering::Materials::Nanostructured materials Zhu, Shao Yuan Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces |
| title | Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces |
| title_full | Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces |
| title_fullStr | Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces |
| title_full_unstemmed | Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces |
| title_short | Molecular dynamics simulation of nanoparticles at fluid-fluid interfaces |
| title_sort | molecular dynamics simulation of nanoparticles at fluid fluid interfaces |
| topic | DRNTU::Engineering::Materials::Nanostructured materials |
| url | http://hdl.handle.net/10356/66947 |
| work_keys_str_mv | AT zhushaoyuan moleculardynamicssimulationofnanoparticlesatfluidfluidinterfaces |