The dynamic behavior of ethanol and water mixtures inside an Aunanotube molecule filter
文献情報
Yao-Chun Wang, Shin-Pon Ju
Molecular dynamics (MD) simulation was used to investigate the behavior of water and ethanol molecules, which were mixed with five water–ethanol weight fractions (100 : 0, 0 : 100, 25 : 75, 50 : 50, and 75 : 25) inside the Au nanotube. To investigate the nano-confinement effect on water and ethanol molecules, the data of both molecules were analyzed by the probability of the number H-bonds per water and ethanol molecule and radial density distribution. Our results reveal that the radial density distributions and the number of H-bonds are significantly influenced by the Au nanotube, and the molecules also display different behavior from those in the bulk environment. In addition, the interaction between water molecules and the Au nanotube is stronger than that between ethanol molecules and the Au nanotube, from the profile of radial density distribution. Finally, both the number of H-bonds per water and per ethanol will be affected by the weight fraction, because the H-bond not only forms between the same material, but also between different materials.
関連文献
Inorganic polymer photoresist for direct ceramic patterning by photolithography
Tuan Anh Pham, Pilnam Kim, Moonkyoo Kwak, Kahp Y. Suh, Dong-Pyo Kim
DOI: 10.1039/B708480C
Cyclometallated iridium(iii) complexes with substituted 1,10-phenanthrolines: a new class of highly active organometallic second order NLO-phores with excellent transparency with respect to second harmonic emission
Claudia Dragonetti, Stefania Righetto, Renato Ugo, Adriana Valore, Simona Fantacci, Antonio Sgamellotti, Filippo De Angelis
DOI: 10.1039/B708073E
Spirocyclic helical compounds as binding agents for bulged RNA, including HIV-2 TAR
Ziwei Xiao, Na Zhang, Yiqing Lin, Graham B. Jones, Irving H. Goldberg
DOI: 10.1039/B610007D
Evaluation of a carbohydrate–π interaction in a peptide model system
Sarah E. Kiehna, Zachary R. Laughrey, Marcey L. Waters
DOI: 10.1039/B711431A
Enantioselective nitroaldol (Henry) reaction using copper(ii) complexes of (−)-sparteine
H. Maheswaran, K. Leon Prasanth, G. Gopi Krishna, K. Ravikumar, B. Sridhar, M. Lakshmi Kantam
DOI: 10.1039/B610203D
Immobilization of nanofibrous metal oxides on microfibers: A macrostructured catalyst system functionalized with nanoscale fibrous metal oxides
Masahiro Sadakane, Qiang Wu, Yoshinobu Nodasaka, Wataru Ueda
DOI: 10.1039/B708038G
Microwave-assisted preparations of dihydropyrroles from alkenone O-phenyl oximes
Fernando Portela-Cubillo, Jackie S. Scott, John C. Walton
DOI: 10.1039/B712582H
Highly efficient asymmetric reduction of arylpropionic aldehydes by Horse Liver Alcohol Dehydrogenase through dynamic kinetic resolution‡
Daria Giacomini, Paola Galletti, Arianna Quintavalla, Gabriele Gucciardo, Francesca Paradisi
DOI: 10.1039/B712290J
Control of ionic conductivity of ionic liquid/photoresponsive poly(amide acid) gels by photoirradiation
Masahiro Tamada, Toshiyuki Watanabe, Kazuyuki Horie, Hiroyuki Ohno
DOI: 10.1039/B705060G
Constructing, deconstructing, and reconstructing ternary supermolecules‡
Christer B. Aakeröy, John Desper, Michelle M. Smith
DOI: 10.1039/B707518A
こちらもおすすめ
噻奈普汀乙酯の物理化学的性質は何ですか?
CAS番号66981-77-9の噻奈普汀乙酯は、結晶性白色粉末であり、分子量は476.9 g/molです。この化合物は水に溶けにくく、一般的には有機溶媒で溶解し...
アミピシリン不純物Fとは何ですか?
アミピシリン不純物Fは、CAS番号124774-48-7の化合物です。これは、抗生物質アミピシリンの生産過程で生成される不純物の一つであり、(4S)-2-({[...
イリジウム(I)ヘキサフルオロフォスファートの代替品はありますか?
イリジウム(I)ヘキサフルオロフォスファートの代替品として、他の有機金属化合物や非有機金属化合物が使用されることがあります。具体的には、ダイゾニウム塩や他の金属...
含有3-(苯氧基甲基)苯硼酸频那醇酯の廃棄物はどのように処理すべきですか?
含有3-(苯氧基甲基)苯硼酸频那醇酯の廃棄物は、安全な方法で処理する必要があります。まず、廃棄物を適切な容器に収集し、避けて保管します。次に、専門の廃棄処理業者...
2-甲基辛-1-醇を取り扱う際の実験室安全事項は何ですか?
取り扱う際は、密閉のゴーグルと手袋を着用することが推奨されます。ドラフトチャンバーを使用し、漏洩時には速やかに取り扱いを中止し、適切な排気設備を使用してください...
3α-アセトキノイドコレステロールエステルはどのように保存すればよいですか?
3α-アセトキノイドコレステロールエステルは、常温から低温(0-5℃)の暗所で保存し、密閉容器に入れることで安定性を保つことが推奨されます。また、湿気や酸素から...
2-ぶンジロキシ-4-(トリフルオロメチル)フェノルビノン酸の主な用途は何ですか?
2-ぶンジロキシ-4-(トリフルオロメチル)フェノルビノン酸は、化学合成の触媒としての使用や、医薬品の合成材料としての役割があります。また、特定の合成路線で使用...
(2S,3R)-2-氨基-3-甲基丁二酸はどのように合成されますか?
(2S,3R)-2-氨基-3-甲基丁二酸は、2-ヒドロキシ-3-メチル丁酸とアミノ化反応を行うことで合成されます。触媒としてジクロロメタンが使用され、選択性と収...
1-Benzyl-2-phenyl-1H-imidazoleはどのように保存すればよいですか?
この化合物は常温で避けてください。直射日光を避け、密閉容器で保存し、湿気を防水の容器に入れて保管してください。
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.









methanone structure [4-(Hydroxymethyl)phenyl](phenyl)methanone structure](https://static.chemtradehub.com/structs/814/81449-01-6-786d.webp)



