Internal mobilities and diffusion in an ionic liquid mixture
文献情報
Céline Merlet, Paul A. Madden, Mathieu Salanne
The internal mobility gives the rate at which one ionic species moves relative to the other species present in an ionic mixture, it mirrors the differential strength of the interactions between different ionic species. In this work we examine the dependence of the internal mobilities of the Li+ and K+ ions on the composition in molten mixtures of LiF and KF. We compare them to the behaviour of the individual diffusion coefficients and the self-exchange velocities, which measure the rate at which an ion separates from its nearest-neighbour coordination shell. The examination is made using molecular dynamics simulations with polarizable, first-principles parameterised interaction potentials which are shown to reproduce the limited available experimental data on the transport properties of these mixtures extremely well. The results confirm that the composition-dependence of the internal mobilities in LiF/KF follows the unusual type-II behaviour, which is not reflected in that of the diffusion coefficients or the self-exchange velocities.
関連文献
The oxidation of sulfur(iv) by reaction with iron(iii): a critical review and data analysis
DOI: 10.1039/C7CP07584G
Triphenylamine based yellowish-orange light emitting organic dyes (donor–π–acceptor) for hybrid WLEDs and OLEDs: synthesis, characterization and theoretical study
Aravind Babu Kajjam, P. Shyam Vinod Kumar, V. Subramanian, Sivakumar Vaidyanathan
DOI: 10.1039/C7CP08670A
Thermoelectric Bi2Te3−xSex alloys for efficient thermal to electrical energy conversion
Omer Meroz, Yaniv Gelbstein
DOI: 10.1039/C7CP06176E
Anisotropic and amphoteric characteristics of diverse carbenes
D. ChangMo Yang, Jenica Marie L. Madridejos, Amir Hajibabaei, Chunggi Baig, Kwang S. Kim
DOI: 10.1039/C8CP00457A
La–La bonded dimetallofullerenes [La2@C2n]−: species for stabilizing C2n (2n = 92–96) besides La2C2@C2n
Qiao-Zhi Li, Ling He, Shigeru Nagase, Xiang Zhao
DOI: 10.1039/C8CP01371C
Short-range ion dynamics in methylammonium lead iodide by multinuclear solid state NMR and 127I NQR
Alessandro Senocrate, Igor Moudrakovski, Joachim Maier
DOI: 10.1039/C8CP01535J
Probing the interaction between solid benzene and water using vacuum ultraviolet and infrared spectroscopy
Anita Dawes, Natalia Pascual, Nigel J. Mason, Sabrina Gärtner, Søren V. Hoffmann, Nykola C. Jones
DOI: 10.1039/C8CP01228H
Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
DOI: 10.1039/C7CP07811K
A hybrid hydrazine redox flow battery with a reversible electron acceptor
Swapnil Varhade, Zahid M. Bhat, Ravikumar Thimmappa, Mruthyunjayachari C. Devendrachari, Alagar R. Kottaichamy, Manu Gautam, Shahid P. Shafi, Musthafa Ottakam Thotiyl
DOI: 10.1039/C8CP03768J
Water-induced formation of a chiral phenylalanine derivative supramolecule
Weilin Chen, Zhiqiang Zhu, Chang Yin, Yibao Li, Yi Liu, Yuting Zhang, Yulan Fan, Xiaolin Fan
DOI: 10.1039/C7CP05845D
こちらもおすすめ
3-(2-オキサプロピル)ベンzoic酸はどのように合成されますか?
3-(2-オキサプロピル)ベンzoic酸は、ベンzoic酸とプロパノ酸をヒドロキシム化合物として反応させて生成します。具体的には、ベンzoic酸とプロパノ酸を反...
4-メチル-4-ピペリジニル-1-ピロリドイン甲酸の主な用途は何ですか?
4-メチル-4-ピペリジニル-1-ピロリドイン甲酸は、主に医薬品の合成材料や研究用物質として使用されます。さらに、一部の薬理学的研究にも応用されています。
Biotin-PEG3-oxyamine HCl塩について、適切な化合物名称に適用される法規ガイドラインは何ですか?
Biotin-PEG3-oxyamine HCl塩は、GHS( Globally Harmonized System of Classification and...
N-(4-イソチオシアネートフェニル)-2-メトキシアリニンはどのように合成されますか?
N-(4-イソチオシアネートフェニル)-2-メトキシアリニンは、4-イソチオシアノフェノールと2-メトキシアリニルアミンのアミニド反応を用いて合成されます。この...
金粉蕨亭2'-O-葡萄糖甙の主な用途は何ですか?
金粉蕨亭2'-O-葡萄糖甙は主に薬理研究や医薬品製造に使用され、抗炎症作用や抗がん作用などがあります。また、その構造や性質から、合成化学や化学生理学の研究にも用...
2-(2-ニトロフェニル)酢酸ヒドライドの物理化学的性質は何ですか?
2-(2-ニトロフェニル)酢酸ヒドライドのCAS番号は114953-81-0です。この化合物は白色結晶性粉末で、分子量は244.12です。水溶性は限られており、...
5-(ヒドロキシメチル)-2-チオキソ-2,3-ジヒドロピリミジン-4(1H)-オンを取り扱う際の実験室安全事項は何ですか?
この化合物は高活性のため、取り扱いには注意が必要です。PPE(個人保護具)としてゴーグル、ガントリー、および防滴シールドを着用することが推奨されます。ドラフトチ...
11-脱氢血栓烷 b2の市場動向や研究トレンドはどうですか?
11-脱氢血栓烷 b2は、血栓溶解・抗凝固作用に関する研究で注目を集めています。特に心血管疾患の治療法開発において、市場の需要が高まっています。研究トレンドとし...
3,3-二甲基哌啶-4-酮はどのように保存すればよいですか?
3,3-二甲基哌啶-4-酮は避光、常温、乾燥した場所で保存してください。容器は密閉し、遠くから火源を離して保管することを確認してください。
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.













![(2E)-4-[(1R,2S,8R,19S,21R)-14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.1~8,12~.0~2,17~.0~2,21~.0~4,15~.0~6,13~]pentacosa-4(15),5,13
,17-tetraen-21-yl]-2-methyl-2-butenoic acid structure (2E)-4-[(1R,2S,8R,19S,21R)-14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.1~8,12~.0~2,17~.0~2,21~.0~4,15~.0~6,13~]pentacosa-4(15),5,13
,17-tetraen-21-yl]-2-methyl-2-butenoic acid structure](https://static.chemtradehub.com/structs/173/173867-04-4-d2d3.webp)
![[4-Chloro-3-(diethylcarbamoyl)phenyl]boronic acid structure [4-Chloro-3-(diethylcarbamoyl)phenyl]boronic acid structure](https://static.chemtradehub.com/structs/871/871332-68-2-0e3b.webp)