DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Ree, Tai-Kyue | - |
dc.contributor.advisor | 이태규 | - |
dc.contributor.author | Lee, Young-Seek | - |
dc.contributor.author | 이영식 | - |
dc.date.accessioned | 2011-12-13T04:23:54Z | - |
dc.date.available | 2011-12-13T04:23:54Z | - |
dc.date.issued | 1983 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=60781&flag=dissertation | - |
dc.identifier.uri | http://hdl.handle.net/10203/31226 | - |
dc.description | 학위논문(박사) - 한국과학기술원 : 화학과, 1983.2, [ viii, 94, [10] p. ] | - |
dc.description.abstract | [Part A] Molecular Dynamic Study of a Polymeric Solution (I) Chain-Length Effect Dynamic and equilibrium structures of a polymer chain immersed in solvent molecules have been investigated by a molecular dynamic method. The calculation employs the Lennard-Jones potential function to represent the interactions between tow solvent molecules (SS) as well as between two non-nearest neighbor constituent particle (monomer unit) of the polymer chain and a solvent molecule (CS) as well as between two non-nearest neighbor constituent particles of the polymer chain (CC), while the chemical bond for nearest neighbor constituent particles was chosen to follow a harmonic oscillator potential law. The correlation function for the SS, CS and CS pairs, the end-to-end distance square and the radius of gyration square were calculated by varying the chain length (=5,10,15,20). The computed end-to-end distance square and the radius of gyration square were found to be in a fairly good agreement with the corresponding results from the random-flight model. Unlike earlier works, the present simulation result shows that the autocorrelation function of the radius of gyration square decays slower than that of the end-to-end distance square. [Part B] Molecular Dynamic Study of a Polymeric Solution (II) Solvent Effect Molecular dynamic method has been applied to a single polymer chain immersed in a solvent. The interactions between the solvent-solvent (SS), chain-solvent(CS), and non-neighbor chain particles (CC) are given by the Lennard-Jones potential, and the interaction between two bonded particles is given by a harmonic potential. We changed the chain-solvent interaction parameter $ε_{CS}$ as 0.5, 1.0 and 2.0 times of the solvent-solvent interaction $ε_{SS}$. We calculated the pair correlation functions, end-to-end distance and radius of gyration with the varying $ε_{CS}$ parameters. The results showed that a phase separation occurs between the polymer and solvent in the 0.5 system ... | eng |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.title | Computer simulation for the polymeric solutionand bursting in excitable cells | - |
dc.title.alternative | 고분자 용액 및 여기성 세포에 관한 전자계산기에 의한 모의 실험 | - |
dc.type | Thesis(Ph.D) | - |
dc.identifier.CNRN | 60781/325007 | - |
dc.description.department | 한국과학기술원 : 화학과, | - |
dc.identifier.uid | 000775102 | - |
dc.contributor.localauthor | Ree, Tai-Kyue | - |
dc.contributor.localauthor | 이태규 | - |
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