Coupling between structural relaxation and diffusion in glass-forming liquids under pressure variation
文献情報
Katsunori Wakabayashi
We theoretically investigate structural relaxation and activated diffusion of glass-forming liquids at different pressures using both Elastically Collective Nonlinear Langevin Equation (ECNLE) theory and molecular dynamics (MD) simulations. An external pressure restricts local motions of a single molecule within its cage and triggers slowing down of cooperative mobility. While the ECNLE theory and simulations generally predict a monotonic increase of the glass transition temperature and dynamic fragility with pressure, the simulations indicate a decrease of fragility as pressures above 1000 bar. The structural relaxation time is found to be linearly coupled with the inverse diffusion constant. Remarkably, this coupling is independent of compression. The theoretical calculations quantitatively agree well with the simulations and are also consistent with prior work.
おすすめジャーナル

Bioorganic & Medicinal Chemistry

Critical Reviews in Solid State and Materials Sciences

Heteroatom Chemistry

Acta Metallurgica Sinica-English Letters

Journal of Chemical Sciences

Biocatalysis and Biotransformation

Cellulose

Polycyclic Aromatic Compounds

Journal of the Indian Institute of Science

Atomization and Sprays
関連文献
Model systems for flavoenzyme activity: an investigation of the role functionality attached to the C(7) position of the flavin unit has on redox and molecular recognition properties‡
Stuart T. Caldwell, Louis J. Farrugia, Shanika Gunatilaka Hewage, Nadiya Kryvokhyzha, Vincent M. Rotello, Graeme Cooke
DOI: 10.1039/B900269N
Glucose sensing via polyanion formation and induced pyrene excimer emission
Cong Yu, Vivian Wing-Wah Yam
DOI: 10.1039/B820397K
Amphiphilic block copolymers based on cyclodextrinhost–guest complexes via RAFT-polymerization in aqueous solution
Heike S. Köllisch, Christopher Barner-Kowollik, Helmut Ritter
DOI: 10.1039/B818897A
Photocatalytic printing of inorganic nanopatterns via poly(styrene-block-carbosilane) copolymer thin films on titania substrates
Juan Peng, Alejandra Garcia Marcos, Seong-Jun Jeong, Holger Frey, Dong Ha Kim
DOI: 10.1039/B816398G
Supramolecular self-assembly of amphiphilic hyperbranched polymers at all scales and dimensions: progress, characteristics and perspectives
Yongfeng Zhou, Deyue Yan
DOI: 10.1039/B814560C
Exploring the limits of encapsulation within hexameric pyrogallol[4]arene nano-capsules‡
Tamas Szabo, Ali Siavosh-Haghighi, Carol A. Deakyne, John E. Adams, Jerry L. Atwood
DOI: 10.1039/B819276F
Verification of specific G-quadruplex structure by using a novel cyanine dye supramolecular assembly: I. Recognizing mixed G-quadruplex in human telomeres
Junfeng Xiang, Yalin Tang, Guangzhi Xu
DOI: 10.1039/B820101C
Photolysis of diarylvinylcyclopropenes for the construction of 1-methylene-8a-aryl-1,8a-dihydroazulene skeletons
Fang-Fang Yu, Wang-Gui Yang
DOI: 10.1039/B820212E
Flagging up sunburn: a printable, multicomponent, UV-indicator that warns of the approach of erythema
Andrew Mills, Kate McDiarmid, Michael McFarlane, Pauline Grosshans
DOI: 10.1039/B900569B
こちらもおすすめ
オステニ二甲磺酸塩に適用される法規ガイドラインは何ですか?
オステニ二甲磺酸塩は、GHS分類に基づき corrosive 物質として分類されます。REACH規則では、該当物質の登録が要求される可能性があります。また、FD...
環丁基肼盐酸盐は安全ですか?
環丁基肼盐酸盐は毒性があり、吸入や皮膚接触は有害です。使用時の安全対策として、密閉システムを使用し、適切な排気設備を備えた場所で作業することが推奨されます。
N-(4-パリドン基ソニルフェニル)硫代イソシアネートを取り扱う際の実験室安全事項は何ですか?
N-(4-パリドン基ソニルフェニル)硫代イソシアネートは高毒性で、皮膚や吸入による毒性があります。取り扱う際は防毒マスク、保護用手袋、保護眼鏡などのPPEを着用...
5-ヒドロキシ-1,3-ジヒドロ-2H-インドン-2-酮の物理化学的性質は何ですか?
CAS番号3416-18-0の5-ヒドロキシ-1,3-ジヒドロ-2H-インドン-2-酮は、結晶性の白色粉末です。分子量は228.25であり、 aqueous m...
O-苄基-D-丝氨醇はどのように合成されますか?
O-苄基-D-丝氨醇は、D-アミノ酸とベンゼン環の経由で合成されます。触媒としてジメチルアミノピリジンが使用され、選択性は高いです。一般的な収率は約90%です。
ナトリウム3-ヒドロキシbutano酸とは何ですか?
ナトリウム3-ヒドロキシbutano酸は、CAS番号13613-65-5で登録されている化合物です。この化合物は、(3R)-3-ヒドロキシbutano酸とナトリ...
1-(二苯甲基)-4-甲基ベンゼンの物理化学的性質は何ですか?
CAS番号603-37-2の1-(二苯甲基)-4-甲基ベンゼンは、結晶性の固体で、分子量は244.28であり、水中的には微溶です。この化合物は有機反応において中...
ネアミン塩酸塩の物理化学的性質は何ですか?
ネアミン塩酸塩の分子量は321.19であり、結晶性の白色粉末です。この化合物は水に溶けやすく、pHが低くなると不溶性になります。反応活性は高く、水溶液中の酸化還...
偶氮二甲酰二哌啶の主な用途は何ですか?
偶氮二甲酰二哌啶は、医薬品、染料、高 Então 剤、触媒、溶媒、量論試薬など、様々な分野で使用されています。特に、高 Enough 反応において、グリコール酸...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.



![(4-Methyl-1H-benzo[d]imidazol-2-yl)methanamine structure (4-Methyl-1H-benzo[d]imidazol-2-yl)methanamine structure](https://static.chemtradehub.com/structs/933/933756-31-1-7b0b.webp)
