Equilibrium and out-of-equilibrium (hysteretic) behavior of fluids in disordered porous materials: Theoretical predictions
文献情報
We study the relation between out-of-equilibrium (hysteretic) and equilibrium behavior in the capillary condensation of fluids in disordered mesoporous solids. Using mean-field density functional theory, we show that a simple lattice-gas model can reproduce the major experimental observations and that the classical van der Waals picture of metastability fails due the appearance of many metastable states. We find that (i) a true equilibrium capillary phase transition may occur when the perturbation induced by the solid is sufficiently small; (ii) hysteresis does not necessarily imply the existence of this phase transition; (iii) the disappearance of the hysteresis loop is not associated with capillary criticality; and (iv) thermodynamic consistency is violated along the adsorption–desorption isotherms.
関連文献
Chiroptical inversion for isolated vibronic transitions of supersonic beam-cooled molecules
Jörn Lepelmeier, José Lorenzo Alonso-Gómez, Farinaz Mortaheb, Ulrich Boesl, Ulrich Heiz, Aras Kartouzian
DOI: 10.1039/C7CP02596C
Mechanistic insights into the catalytic reaction of ferulic acid decarboxylase from Aspergillus niger: a QM/MM study
Ge Tian, Yongjun Liu
DOI: 10.1039/C6CP08811B
Models for biomedical interfaces: a computational study of quinone-functionalized amorphous silica surface features
Marta Corno, Massimo Delle Piane, Patrick Choquet, Piero Ugliengo
DOI: 10.1039/C6CP07909A
On the critical Casimir interaction between anisotropic inclusions on a membrane
Jorge Benet, Fabien Paillusson, Halim Kusumaatmaja
DOI: 10.1039/C7CP03874G
In- and Ga-based inorganic double perovskites with direct bandgaps for photovoltaic applications
Jun Dai, Liang Ma, Minggang Ju, Jinsong Huang
DOI: 10.1039/C7CP03448B
Cyclodextrin-assisted modulation of the photophysical properties and acidity constant of pyrene-armed calix[4]arene
V. S. Kalyani, D. D. Malkhede
DOI: 10.1039/C7CP01894K
Characterization of secondary phosphine oxide ligands on the surface of iridium nanoparticles
Israel Cano, Luis M. Martínez-Prieto, Pier F. Fazzini, Bruno Chaudret, Piet W. N. M. van Leeuwen
DOI: 10.1039/C7CP03439C
Experimental and theoretical studies on fluvastatin primary photoproduct formation
Dorota Jarmużek, Marcin Hoffmann, Tomasz Siodła, Kinga Salus, Donata Pluskota-Karwatka
DOI: 10.1039/C7CP01094J
Unveiling anomalous CO2-to-N2 selectivity of graphene oxide
Ji Hoon Lee, Hyeon Jeong Lee, Jang Wook Choi
DOI: 10.1039/C7CP04318J
Compositional phase diagram and microscopic mechanism of Ba1−xCaxZryTi1−yO3 relaxor ferroelectrics
Shi-Yu Liu, Yang Meng, Shiyang Liu, De-Jun Li, Yaping Li, Yingdi Liu, Yaogen Shen, Sanwu Wang
DOI: 10.1039/C7CP04530A
こちらもおすすめ
「邻羟基阿托伐他汀内酯标准品」に適用される法規ガイドelinesは何ですか?
CAS番号163217-74-1の「邻羟基阿托伐他汀内酯标准品」は、GHS分類では危険物に分類されず、主にREACH規則とFDA/EPAの管理対象となります。R...
メチル(3R)-3-アミノ-2,3-ジヒドロ-1-ベンゾファンラニン-5-カルボイル酸塩塩酸塩の主な用途は何ですか?
メチル(3R)-3-アミノ-2,3-ジヒドロ-1-ベンゾファンラニン-5-カルボイル酸塩塩酸塩は、医薬品や合成化学の研究に広く用いられます。また、特定の薬物の前...
トランス-4-メチルピロリジン-3-オール塩酸塩はどのように合成されますか?
トランス-4-メチルピロリジン-3-オール塩酸塩は、4-メチルピロリジンの塩酸塩化によって合成されます。一般的な合成方法では、4-メチルピロリジンを塩酸に加えて...
硫雜環丁烷-1,1-二氧化物は安全ですか?
硫雜環丁烷-1,1-二氧化物は安全ではありません。毒性は報告されていませんが、高温下で分解し、可燃性があるため、高圧ガスは注意が必要です。密閉した容器で保管し、...
9-ヒドロキシエリプチシネ塩酸塩はどのように合成されますか?
9-ヒドロキシエリプチシネ塩酸塩は、エリプチシネから塩酸を添加することで合成されます。選択性は高いですが、収率は約70%です。
5-塩素-2-(メチルアミノ)フェニル-(2-塩素フェニル)メタン酮の物理化学的性質は何ですか?
5-塩素-2-(メチルアミノ)フェニル-(2-塩素フェニル)メタン酮のCAS番号は5621-86-3です。この化合物は白色の結晶性粉末で、分子量は415.03で...
1-[2-(4-甲氧基-苯氧基)-乙基]-哌嗪はどのように保存すればよいですか?
1-[2-(4-甲氧基-苯氧基)-乙基]-哌嗪は、直射日光を避けて暗所に、室温(15-25℃)で保管し、密閉容器に入れることで安定性を保つことができます。
2-[3-(4-甲氧基フェニル)プロピル]-4,4,5,5-四メチル-1,3,2-ドイボロロールアンの主な用途は何ですか?
2-[3-(4-甲氧基フェニル)プロピル]-4,4,5,5-四メチル-1,3,2-ドイボロロールアンは、医薬品の合成、有機合成化学、および新材料の研究で使用され...
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.














