Molecular Dynamics Simulation for Structure Formation of Single Polymer Chain in Solution(Condensed Matter : Structure, Mechanical and Thermal Properties)
スポンサーリンク
概要
- 論文の詳細を見る
The structure formation of a single polymer chain in solution with explicit solvent molecules is investigated by molecular dynamics simulation. The orientationally ordered structure is formed at a low temperature by quenching from a random conformation at a high temperature. The growth of the global and local orientational order proceeds in a stepwise manner at T≥350K, whereas it proceeds in a gradual manner at T=300K. From the detailed analyses of the parallel ordering process, it is found that a conformational change of the polymer chain occurs at first, and then parallel ordering starts to take place. In comparison with the simulation results of an isolated polymer chain in vacuum, it is ascertained that the stem length of the orientationally ordered structure formed in solution becomes 2-3 times longer than that formed in vacuum.
- 社団法人日本物理学会の論文
- 2006-02-15
著者
-
藤原 進
京工繊大院工芸
-
Itoh T
Department Of Macromolecular Science And Engineering Graduate School Of Science And Technology Kyoto
-
ITOH Takashi
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University
-
FUJIWARA Susumu
Department of Macromolecular Science and Engineering, Graduate School of Science and Technology, Kyo
-
HASHIMOTO Masato
Department of Macromolecular Science and Engineering, Graduate School of Science and Technology, Kyo
-
NAKAMURA Hiroaki
Theory and Computer Simulation Center, National Institute for Fusion Science
-
伊藤 孝至
名古屋大学エコトピア科学研究所融合プロジェクト部門
-
Hashimoto M
Department Of Macromolecular Science And Engineering Graduate School Of Science And Technology Kyoto
-
Hashimoto M
Department Of Polymer Science And Engineering Faculty Of Textile Science Kyoto Institute Of Technolo
-
Itoh T
Tokyo Inst. Technol. Yokohama Jpn
-
Hashimoto Masato
Department Of Applied Physics Tokai University
-
Itoh T
Mitsubishi Heavy Ind. Ltd. Yokohama Jpn
-
Nakamura Hiroaki
Theory And Computer Simulation Center National Institute For Fusion Science
-
FUJIWARA Susumu
Department of Polymer Science and Engineering, Faculty of Textile Science, Kyoto Institute of Technology
-
HASHIMOTO Masato
Department of Polymer Science and Engineering, Faculty of Textile Science, Kyoto Institute of Technology
関連論文
- 20aEF-13 n-アルカン超薄膜の融解過程に関する分子動力学シミュレーション(20aEF 液晶,複雑液体,領域12(ソフトマター物理,化学物理,生物物理))
- P.-G.ドゥジェンヌ,F.ブロシャール-ヴィアール,D.ケレ共著, 奥村剛訳, 表面張力の物理学-しずく,あわ,みずたま,さざなみの世界-, 吉岡書店, 京都, 2008, xi+294p, 21×15cm, 本体4,800円, [大学院・学部向], ISBN978-4-8427-0345-9
- 27pVB-13 脂質二重層の構造と流動性に関する分子動力学シミュレーション(27pVB 膜,領域12(ソフトマター物理,化学物理,生物物理))
- Methanol Gas Sensing Using Ultramicroelectrodes : Studies on Sensing Mechanism and Its Enhancement : Atoms, Molecules, and Chemical Physics
- トリオキサンとエチレンオキシドとの共重合の初期反応過程の解析2-1, 3, 5, 7, 10-ペンタオキサシクロドデカンの生成
- トリオキサンとエチレンオキシドを直接原料とする新規環状化合物 1, 3, 5, 7-テトラオキサシクロノナンの合成
- Novel Primary Dispersion in Viscoelastic Behavior of Ferroelectric Nylon 6
- Superlattice Epitaxy of Vinylidene Fluoride/Trifluoroethylene Copolymer Crystals on Highly Oriented Pyrolytic Graphite(Condensed matter: structure and mechanical and thermal properties)
- Molecular Dynamics Simulation for Structure Formation of Single Polymer Chain in Solution(Condensed Matter : Structure, Mechanical and Thermal Properties)
- 16. Molecular Dynamics Simulation of Micelle Formation in Amphiphilic Solution(poster presentation,Soft Matter as Structured Materials)
- ナイロン6の強誘電性と非晶構造
- ナイロン結晶における相転移現象
- Thermal, Structural and Ferroelectric Properties of Amorphous Phases in Quenched Nylon 6 Film(Condensed Matter : Structure, Mechanical and Thermal Properties)
- Phase-Transitional Behavior in Vinylidene Fluoride-Trifluoroethylene Copolymer Crystals(Condensed Matter : Structure, Mechanical and Thermal Properties)
- Phase Transition in Even-Even Nylon Crystals (Condensed Matter : Structure, Mechanical and Thermal Properties)
- Ferroelectricity and Amorphous Structure in Quenched Nylon 6 Film : Structure and Mechanical and Thermal Properties of Condensed Matter
- Phase-Transitional Behavior in Vinylidene Fluoride-Trifluoroethylene Copolymer Crystals under Elevated Pressures
- Molecular Structures and Percolative Phase Transition in Vinylidene Fluoride-Trifluoroethylene Copolymer Crystals
- Phase Transitions in Nylon 6Y Crystals
- 絹フィブロインフィルムの熱処理とエタノール処理後の延伸による構造変化
- Structural Analysis of Collagen Fibrils in Rat Skin Based on Small-Angle X-Ray-Diffraction Pattern
- An Interpretation for the First- and Second-Order Phase Transitions in Nylon 66 Crystal Based on the Intra- and Intermolecular Energy Calculation
- Observation on the Crimp Structure in Rat Tail Tendon Using a Transmission Electron Microscope
- Energetically Stable Conformations of Nylon 66 and Nylon 6 Molecules in Crystals
- 小角X線回折法とエネルギ-計算による,ネズミの尾の腱のコラ-ゲン繊維の構造解析
- 高分子構造形成と両親媒性分子自己会合の分子動力学シミュレーション
- 21pRL-5 両親媒性溶液中における中間相形成の分子動力学シミュレーション(エマルジョン・膜,領域12,ソフトマター物理,化学物理,生物物理)
- 18pRE-4 両親媒性溶液中におけるミセル形状変化の分子動力学シミュレーション(膜・エマルジョン,領域12,ソフトマター物理,化学物理,生物物理)
- 28pRH-3 溶液中における高分子構造形成の分子動力学シミュレーション(28pRH 分子シミュレーション・溶液・液体,領域12(ソフトマター物理,化学物理,生物物理))
- 25pZD-8 両親媒性分子の自己会合過程(膜・複雑液体,領域12(ソフトマター物理,化学物理,生物物理))
- 30aWF-1 希薄溶液中における高分子構造形成の分子動力学シミュレーション : 高分子構造形成におよぼす溶媒効果(ゲル)(領域12)
- 溶液中における高分子構造形成に及ぼす溶媒効果 : 分子動力学シミュレーション(ソフトマターの物理学2003-普遍性と多様性-,研究会報告)
- PJ-705 Usefulness of Inferior Vena Cava Filter for Prevention of Pulmonary Embolism in Patients with Deep Vein Thrombosis(Pulmonary circulation-2, The 71st Annual Scientific Meeting of the Japanese Circulation Society)
- 28aWF-8 散逸粒子動力学シミュレーションによる両親媒性分子C_mE_nの相図解明(膜・界面活性剤)(領域12)
- 散逸粒子動力学シミュレーションによる両親媒性分子超分子構造の解明(ソフトマターの物理学2003-普遍性と多様性-,研究会報告)
- 30pYC-8 鎖状分子配向秩序ドメインの剛体性のサイズ依存性
- Phase Transitions in Nylon Crystals with Hexamethylene Moiety
- Ferroelectric Hysteresis Behavior and Structural Property of Even-Numbered Nylon Film
- 受賞記念講演 Achievements in New Quantitative Approach to Powder Technology (特集 粉末プロセスのシミュレーション)
- Relationship between Compacting Behaviors and Morphological Characteristics for Metallic powders
- 数理モデルを用いた重心動揺のランダム性の検討
- Cytofluorometric DNA analysis by stathmokinetic method of experimental thyroid neoplasms in rats
- A third-phase cutaneous (very late phase) response after elicitation with dinitrofluorobenzene in passively or actively sensitized mice
- 自然乾燥コラ-ゲン繊維に関する透過型電子顕微鏡像の定量的解析〔英文〕
- Preparation, Structure, and Characterization of a Novel Diphosphoheptadecatungstate Complex, [(P_2O_7)W_O_]^
- Critical Phenomena in a Polymer Crystal
- First-Order Phase Transition in a Nylon 66 Crystal
- Irreversible Phase Transition in Nylon 6 Crystal Induced by Ultrahigh Electric Field
- Numerical radius Haagerup norm and square factorization through Hilbert spaces
- Gas Phase Hydrogen Electrooxidation Using an Integrated Ultramicroelectrode
- High Temperature in situ Raman Spectroscopy of Oxide Species in Molten(Li+K) Carbonate Eutectic
- Electrogastrographic power ratio in humans is not related to changes in antrum-skin distance but to antral motility
- Effects of Choto-san (Diao-Teng-San) on microcirculation of bulbar conjunctiva and hemorheological factors in patients with asymptomatic cerebral infarction
- Schur Products and Module Maps on $B (\mathscr{H})$
- Pharmacokinetic study of Paeoniflorin Paeonimetabolin-I and Glycyrrhetic acid in humans after oral administration of Paeony Root, Glycyrrhiza and Shakuyaku-kanzo-to (Shao-Yao-Gan-Cao-Tang)
- The Role of Intermolecular Electrostatic Interaction on Appearance of the Periodic Band Structure in Type I Collagen Fibril
- Non-empirical Calculation of the Diamagnetic Anisotropy of Benzene
- Strong Photon Localization in Mesoscopic Scaled Optical Waveguide
- Structure and Melting Behavior of Poly(vinylidene fluoride) Crystallized by Pressure Quenching : Chemistry (incl, physical process)
- Effects of Weight Cycling on Coronary Risk Factors
- Sleep Cycle の定量評価について
- Abundant expression of matrix metalloproteinase-9 mRNA in osteoclasts and osteoblasts at sites of punnus bone interface in rheumatoid arthritis
- Treatment of obstructive sleep apnea syndrome with a Kampo-formula, San'o-shashin-to : A case report
- Effects of uroguanylin on contractile responses and Ca^ in single cardiac myocytes from guinea pig
- Local Recurrence of Breast Cancer Demonstrated on ^Tc-MIBI Scintigraphy
- Activation of the Promoters of Arabidopsis Genens for the Branched-Chain α-Keto Acid Dehydrogenase Complex in Transgenic Tobacco BY-2 Cells under Sugar Starvation
- Concentration and proteolytic activity of matrix metalloproteinase (MMP)-1, -9, -13 in serum and synovial fluid of the patients with rheumatoid arthritis
- A Case of Jugular Foramen Chordoma with Extension to the Neck:CT and MR Findings
- 28aGT-10 両親媒性溶液中におけるミセル形成の分子動力学シミュレーション : 分子の剛直性の効果(28aGT 液晶・ゲル,領域12(ソフトマター物理,化学物理,生物物理))
- CALCIUM PHOSPHATE DEPOSIT ON PEARL IN VITRO
- ESD法で調製したメソフェ-ズピッチカ-ボン薄膜のリチウムイオン脱挿入挙動
- 21pXB-6 高分子秩序化過程の分子動力学シミュレーション(21pXB 領域9,領域12合同シンポジウム:ソフトコンデンスドマターの結晶成長,領域9(表面・界面,結晶成長))
- 21pXB-6 高分子秩序化過程の分子動力学シミュレーション(21pXB 領域9,領域12合同シンポジウム:ソフトコンデンスドマターの結晶成長,領域12(ソフトマター物理,化学物理,生物物理))
- Microvoltammetric Study of Electrochemical Hydrogenation of a Surface-Treated Mg_2Ni Alloy Single Particle
- Preparation of Carbon Nanowall by Hot-Wire Chemical Vapor Deposition and Effects of Substrate Heating Temperature and Filament Temperature
- Thermal Properties of α- and γ-Forms of Nylon 6
- Application of the Alternant Orbital Method to Benzene
- 22aJF-9 高分子静止融液下におけるキャビテーション(22aJF 高分子,領域12(ソフトマター物理,化学物理,生物物理))
- CHARACTERIZATION OF MAXIMAL PRIMITIVE IDEALS OF TOEPLITZ ALGEBRAS
- Mutual Relation between Distributions Based on Number and Mass in The Particle Size-Shape Dispersion Diagram
- Electron Coupled Interaction in Solid Iodine
- Microwave Spectrum of Methylamine
- Combined Use of the Cusp Condition and the One-Electron Density Condition in the Construction of Correlated Wave Functions of Atoms and Molecules
- Microwave Spectrum of SPCl_3, Theoretical
- Heterojunction Amorphous Silicon Solar Cells with n-Type Microcrystalline Cubic Silicon Carbide as a Window Layer
- Micellar Shape Change in Amphiphilic Solution : A Molecular Dynamics Study
- Freezing of High-Temperature Phase in Vinylidene Fluoride/Trifluoroethylene Copolymer Crystals on Vacuum-Evaporated Metal Surfaces
- Phase Transitions in Nylon Crystals with Hexamethylene Moiety
- Influence of Addition of Alumina Nanoparticles on Thermoelectric Properties of La-Filled Skutterudite CoSb_3 Compounds
- Molecular Structure of Methylamine
- Effects of Substrate Temperature on Properties of Amorphous In
- Static Model Calculation of Pion-Nucleon Scattering
- On the Valence Theory of the Methyl Radical
- Catalytic Transformation of Cyclohexene Hydroperoxides to Epoxy Alcohols with Vanadyl Acetylacetonate
- Structural Analysis of Collagen Fibrils in Rat Skin Based on Small-Angle X-Ray-Diffraction Pattern
- Oxidation by Transition Metal Complexes. VI. Oxidation of Cyclohexenes Catalyzed by Rhodium Complexes
- COMPLETELY POSITIVE DECOMPOSITIONS FROM DUALS C^*-ALGEBRAS TO VON NEUMANN ALGEBRAS
- Change with Temperature in Crystal Structures of Nylons 6, 66 and 610
- On the Valence Theory of the Methyl Radical
- 30pAC-12 両親媒性溶液中におけるミセル形状転移の分子動力学シミュレーション(30pAC 膜・ミセル,領域12(ソフトマター物理・化学物理・生物物理))