Diffusion of the carbon dioxide–ethanol mixture in the extended critical region

Literature Information

Publication Date 2021-01-18
DOI 10.1039/D0CP04985A
Impact Factor 3.676
Authors

René Spencer Chatwell, Gabriela Guevara-Carrion, Yuri Gaponenko, Valentina Shevtsova, Jadran Vrabec


View Original

Abstract

The effect of traces of ethanol in supercritical carbon dioxide on the mixture's thermodynamic properties is studied by molecular simulations and Taylor dispersion measurements. This mixture is investigated along the isobar p = 10 MPa in the temperature range between T = 304 and 343 K. Along this path, the mixture undergoes two transitions: First, the Widom line is crossed, marking the transition from liquid-like to gas-like conditions. A second transition occurs from the supercritical gas-like domain to a subcritical gas. The Widom line crossover entails inflection points for most of the studied properties, i.e. density, enthalpy, shear viscosity, Maxwell–Stefan and intradiffusion coefficients. On the other hand, the transition between the super- and subcritical regions is found to be generally smooth, an observation that is qualitatively confirmed by experimental Taylor dispersion measurements. Dedicated atomistic simulations show the presence of microheterogeneities due to ethanol self-association along the investigated path, which lead to the mixture's anomalous behavior in its extended critical region.

Related Literature

Immunoasssay based on the antibody-conjugated PAMAM-dendrimer–gold quantum dot complex

Robert C. Triulzi, Miodrag Micic, Silvia Giordani, Michael Serry, Wen-An Chiou, Roger M. Leblanc

2006-11-21 Communication

DOI: 10.1039/B611278A

Parallel sheet structure in cyclopropane γ-peptides stabilized by C–H⋯O hydrogen bonds

M. Khurram N. Qureshi, Martin D. Smith

2006-11-06 Communication

DOI: 10.1039/B611882H

Vancomycin-induced morphological transformation of self-assembled amphiphilic diacetylene supramolecules

Kun Ha Park, Ji-Seok Lee, Hyunwook Park, Eun-Hye Oh, Jong-Man Kim

2006-12-06 Communication

DOI: 10.1039/B615626F

Exploiting the multifunctionality of organocations in the assembly of hybrid polyoxometalate clusters and networks

Chris Ritchie, Eric M. Burkholder, De-Liang Long, David Adam, Paul Kögerler, Leroy Cronin

2006-12-21 Communication

DOI: 10.1039/B612741J

Contents

Front/Back Matter

DOI: 10.1039/B715695M

Luminescent logic function of a surfactant-encapsulated polyoxometalate complex

Hui Zhang, Xiankun Lin, Yi Yan, Lixin Wu

2006-07-21 Communication

DOI: 10.1039/B606343H

Nano-patterning of solid substrates by adsorbed dendrimers

Ramon Pericet-Camara, Brian P. Cahill, Georg Papastavrou, Michal Borkovec

2006-10-25 Communication

DOI: 10.1039/B612249C

Formation of cage-like hollow spherical silicavia a mesoporous structure by calcination of lysozyme–silica hybrid particles

Tatsuo Tsunoda, Akiko Kawai, Fujio Mizukami, Kengo Sakaguchi

2007-08-21 Communication

DOI: 10.1039/B709534A

Metal–organic frameworks exhibiting strong anion–π interactions

Il'ya A. Gural'skiy, Pavlo V. Solntsev, Harald Krautscheid, Konstantin V. Domasevitch

2006-11-03 Communication

DOI: 10.1039/B612660J

You might also like

Compound Q&A

How is Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) typically synthesized?

Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) can be synth...

59713-58-5Ethyl 4-chlorothieno...
Compound Q&A

What regulatory guidelines apply to 5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2)?

5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2) is subject to various regula...

52562-50-25-Methyl-1H-indole-3...
Compound Q&A

What are the physical and chemical properties of (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid (CAS: 223418-73-3)?

(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid is a white...

223418-73-3(1,3-Dimethyl-2,4-di...
Compound Q&A

How should waste containing Sulfocostunolide A (CAS: 1016983-51-9) be handled?

Waste containing Sulfocostunolide A (CAS: 1016983-51-9) should be handled with c...

1016983-51-9Sulfocostunolide A
Compound Q&A

What precautions should be taken when handling Murraxocin (CAS: 88478-44-8)?

When handling Murraxocin (CAS: 88478-44-8), ensure proper personal protective eq...

88478-44-8Murraxocin
Compound Q&A

What are the physical and chemical properties of Formvar (CAS: 63148-64-1)?

Formvar (CAS: 63148-64-1) is an alkyd resin characterized by a high molecular we...

63148-64-1Formvar(R)
Compound Q&A

Is (S)-4-benzyl-2-((benzyloxy)methyl)morpholine (CAS: 205242-66-6) safe?

(S)-4-benzyl-2-((benzyloxy)methyl)morpholine is generally safe when handled with...

205242-66-6(S)-4-benzyl-2-((ben...
Compound Q&A

What industries use Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3)?

Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3) is p...

1447607-69-3Methyl 1-(5-bromo-2-...
Compound Q&A

Is 2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) safe?

2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) is generally con...

24290-47-92-Methyl-1-phenyl-1-...
Compound Q&A

How is 3-(4-Bromophenyl)-2-methylpropanoic acid (CAS: 66735-01-1) typically synthesized?

3-(4-Bromophenyl)-2-methylpropanoic acid is synthesized through a multi-step pro...

66735-01-13-(4-Bromophenyl)-2-...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.