Closed loops of liquid–liquid immiscibility predicted by semi-empirical cubic equations of state and classical mixing rules
文献情報
Ilya Polishuk, Jaime Wisniak, Hugo Segura
The present study demonstrates that semi-empirical cubic EOSs, which include temperature functionalities such as that of Soave and van der Waals classical mixing rules, predict the behavior around the mathematical double points of the second kind. For the first time these results allow one to fit Type VI behavior in real water solutions, that include both first and second hypercritical points, or the absence of each of these points. Although the predicted data match the experimental data, their genesis is explained by fundamental numerical pitfalls, namely non-physical and non-differentiable breaking points that are characteristic for several empirical temperature functionalities. Hence, such results cannot represent the physical nature of the real systems. Although these pitfalls may take place outside the range of practical significance for pure compounds, they may strongly affect the predictions of the mixtures even at ordinary conditions. Therefore it is shown once again that all parts of the thermodynamic phase space predicted by the EOSs are closely inter-related.
おすすめジャーナル

New Journal of Chemistry

Russian Journal of Bioorganic Chemistry

Current Opinion in Colloid & Interface Science

Russian Chemical Bulletin

Journal of Saudi Chemical Society

Nature Medicine

Journal of Peptide Science

Russian Journal of Organic Chemistry

Russian Journal of Applied Chemistry

Chemistry Education Research and Practice
関連文献
β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor
Bo-Shun Huang, Todd L. Lowary
DOI: 10.1039/D0OB00260G
A molecular electron density theory study of the enhanced reactivity of aza aromatic compounds participating in Diels–Alder reactions
Luis R. Domingo, Patricia Pérez
DOI: 10.1039/C9OB02467K
Bifunctional squaramide catalyzed stereoselective Mannich reaction of α-azido ketones with isatin-derived ketimines
Seda Karahan, Cihangir Tanyeli
DOI: 10.1039/C9OB02208B
Mechanistic and structural studies into the biosynthesis of the bacterial sugar pseudaminic acid (Pse5Ac7Ac)
Harriet S. Chidwick, Martin A. Fascione
DOI: 10.1039/C9OB02433F
Dearomatization of 3-cyanoindoles by (3 + 2) cycloaddition: from batch to flow chemistry
Maxime Manneveau, Saori Tanii, Fanny Gens, Julien Legros
DOI: 10.1039/D0OB00582G
Total synthesis of nafuredin B
Gour Hari Mandal, Dhiman Saha, Rajib Kumar Goswami
DOI: 10.1039/D0OB00370K
A visible-light-induced “on–off” one-pot synthesis of 3-arylacetylene coumarins with AIE properties
Xinjie Wu, Ming Jia, Mengmeng Huang, Jung Keun Kim, Zheng Zhao, Junkai Liu, Jinhu Xi, Yabo Li, Yangjie Wu
DOI: 10.1039/D0OB00479K
A domino annulation approach to 3,4-diacylpyrrolo[1,2-a]pyrazines: decoration of pyrazine units
Anuradha Dagar, Yohan Seo, Ikyon Kim
DOI: 10.1039/D0OB00444H
Wagner–Meerwein type rearrangement in 5-oxohomoadamantane series
Ilya M. Tkachenko, Polina A. Mankova, Victor B. Rybakov, Evgeniy V. Golovin, Yuri N. Klimochkin
DOI: 10.1039/C9OB02060H
こちらもおすすめ
アエポキシアビレーターONE酢酸エステルを含む廃棄物はどのように処理すべきですか?
アエポキシアビレーターONE酢酸エステルを含む廃棄物は、焼却や専門廃棄処理が一般的です。具体的には、廃棄物は密閉容器に収集し、適切な温度と湿度の下で保存します。...
4-ヒドロキシ但線を取り扱う際の実験室安全事項は何ですか?
取り扱いには化学製品安全管理データシート(SDS)を参照してください。温度10℃以下で保存し、密閉容器に保管してください。漏れ時にはドラフトチャンバーを使用し、...
4-(3-環戊基尿素)フェノールボロネートはどの業界で使用されていますか?
4-(3-環戊基尿素)フェノールボロネートは主に医薬品産業で使用されています。この化合物は抗炎症薬や抗うつ薬の候補物質として研究されています。また、ポリマー産業...
N~1~-[3-氯-5-(三氟甲基)-2-吡啶]-1,2-乙二胺の市場動向や研究トレンドはどうですか?
市場では、安全性と効果性を基にした化学物質の需要が高まっています。研究分野では、環境に優しい代替品の開発が進んでおり、その結果、この化合物の市場需要は減少傾向に...
6-硝基苯并二氢吡喃-4-酮についての法規ガイドラインは何ですか?
6-硝基苯并二氢吡喃-4-酮(CAS番号: 68043-53-8)は、GHS(統一化された化学品の危険性的分類と標識)で急性毒性第4クラスに分類されます。EUで...
6-乙酰基-2(3H)-苯并噻唑酮は安全ですか?
安全性は化合物の使用方法によります。適切な取扱いと防護措置を講じれば、一定の安全性があります。ただし、吸入や皮膚への接触は避けてください。
3-メチル-6-(1-メチルヒドラジニル)ピリジジンはどの業界で使用されていますか?
3-メチル-6-(1-メチルヒドラジニル)ピリジジンは主に医薬品、ポリマー、センサー製造業界で使用されています。特に、医薬品産業では抗がん剤や抗真菌剤の候補物質...
tert-butyl 5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylateの物理化学的性質は何ですか?
tert-butyl 5-オキソ-2,6-ジアザスパイロ[3.4]オクタネ-2-カルボキサongyangはCAS番号1330765-39-3で、分子量は334....
3-塩素メチルフェニル-4,4,5,5-テトラメチル-1,3,2-ジオキソボロラノールは安全ですか?
3-塩素メチルフェニル-4,4,5,5-テトラメチル-1,3,2-ジオキソボロラノールは、毒性が低いと考えられていますが、直接的な皮膚接触や吸入は避けるべきです...
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.


![2-Methyl-2-propanyl 4-{2-fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoyl}-1-piperazinecarboxylate structure 2-Methyl-2-propanyl 4-{2-fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoyl}-1-piperazinecarboxylate structure](https://static.chemtradehub.com/structs/763/763114-04-1-65a9.webp)

