Closed loops of liquid–liquid immiscibility predicted by semi-empirical cubic equations of state and classical mixing rules
Literature Information
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.
Recommended Journals

Russian Journal of General Chemistry

Russian Journal of Coordination Chemistry

New Journal of Chemistry

Organic Process Research & Development

Saudi Pharmaceutical Journal

Acta Materialia

Russian Journal of Bioorganic Chemistry

Journal of Natural Medicines

Chemistry Education Research and Practice

Chemical Communications
Related Literature
1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles
Karlos Eduardo Pianoski, Julia Poletto, Michael Jackson Vieira da Silva, Jeniffer Nascimento Ascencio Camargo, Andrey Petita Jacomini, Davana Silva Gonçalves, Davi Fernando Back, Sidnei Moura, Fernanda Andreia Rosa
DOI: 10.1039/D0OB00319K
Copper-catalyzed direct amination of benzylic hydrocarbons and inactive aliphatic alkanes with arylamines
Hua Yao, Bo Xie, Xiaoyang Zhong, Shengzhou Jin, Sen Lin, Zhaohua Yan
DOI: 10.1039/D0OB00491J
Solvent-sensitive circularly polarized luminescent compounds bearing a 9,9′-spirobi[fluorene] skeleton
Masahiro Kubo, Ko Takase, Keiichi Noguchi, Koji Nakano
DOI: 10.1039/C9OB02681A
Tandem transformations and multicomponent reactions utilizing alcohols following dehydrogenation strategy
Bhaskar Paul, Milan Maji, Kaushik Chakrabarti, Sabuj Kundu
DOI: 10.1039/C9OB02760B
Head-to-head comparison of LNA, MPγPNA, INA and Invader probes targeting mixed-sequence double-stranded DNA
Raymond G. Emehiser, Eric Hall, Dale C. Guenther, Saswata Karmakar, Patrick J. Hrdlicka
DOI: 10.1039/C9OB02111F
CuBr2-catalyzed diastereoselective allylation: total synthesis of decytospolides A and B and their C6-epimers
Birakishore Padhi, G. Sudhakar Reddy, N. Arjunreddy Mallampudi, Utkal Mani Choudhury, Debendra K. Mohapatra
DOI: 10.1039/C9OB02689D
Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy
Jianzhuang Miao, Yi-Xuan Zheng, Shi-Chao Lu, Shi-Peng Zhang, Ya-Ling Gong, Shu Xu
DOI: 10.1039/D0OB00160K
You might also like
What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?
6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...
Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?
While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...
Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...
How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?
2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...
What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?
4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...
What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?
(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...
What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...
What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?
4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...
What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?
(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...
How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?
7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...
Source Journal
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.

![(3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole structure (3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole structure](https://static.chemtradehub.com/structs/877/877212-98-1-9157.webp)

![4-Penten-1-yl 2-[(2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino]butanoate structure 4-Penten-1-yl 2-[(2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino]butanoate structure](https://static.chemtradehub.com/structs/101/101903-30-4-ac34.webp)
