Special Issue "Sub- and Supercritical Fluids and Green Chemistry"
Deadline for manuscript submissions: closed (30 April 2017)
Prof. Dr. Yu Yang
Department of Chemistry, East Carolina University, Greenville, NC 27858, USA
Website | E-Mail
Interests: supercritical fluid extraction; supercritical fluid chromatography; subcritical water extraction; subcritical water chromatography; chemical reactions in subcritical water; environmental remediation using subcritical water; organic solubility in subcritical water; organic stability in subcritical water; pharmaceutical analysis
Sub- and supercritical fluids have been employed in various green chemical processes, including chemical synthesis, chemical degradation, environmental remediation, cleaning, extraction, chromatography, and other processes. Since common sub- and supercritical fluids, such as supercritical carbon dioxide and subcritical water, are non-toxic and non-flammable, any processes involving these fluids are environment and operator friendly. In many cases, such green processes are also more economical because the waste generated by supercritical carbon dioxide and subcritical water normally does not require waste disposal, which can be very expensive.
The aim of this Special Issue is to focus on application of sub- and supercritical fluids in a wide range of chemical processes. The goal of this type of green chemistry is to eliminate or minimize the use of toxic organic solvents in synthesis, cleaning, extraction, chromatography, environmental remediation, and other chemical processes.
Prof. Yu Yang
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- Chemical reactions in sub- and supercritical fluids
- Chemical processes in sub- and supercritical fluids
- Sub- and supercritical fluid extraction
- Sub- and supercritical fluid chromatography
- Environmental remediation using sub- and supercritical fluids
- Organic solubility in sub- and supercritical fluids
- Organic stability in sub- and supercritical fluids
- Subcritical water
- Supercritical carbon dioxide
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Type of the paper: Review
Tentative title: State of the art strategies to estimate solute solubility in supercritical CO2: from experimental to molecular approaches
Authors: José M. del Valle 1 Juan C. de la Fuente2 Loreto Valenzuela 1 and Flavia Zacconi3
Affiliations: 1 Departamento de Ingeniería Química y Bioprocesos, Facultad de Ingeniería, and
3 Departamento de Química Orgánica, Facultada de Química Pontificia Universidad Católica de Chile, Santiago,
2 Departamento de Ingeniería Química y Ambiental Universidad Técnica Federico Santa María, Valparaiso, Chile
Abstract: This manuscript will review the relationship between the chemical structure of organic solutes and their solubility in pure CO2 under supercritical (sc) conditions. We will describe the relevance of the subject from a historical perspective, and organize the review in three parts. The first part will describe the measurement, modeling, and quality assessment of experimental solubility data. Experimental methods and sources of systematic errors will be identified. Mathematical models used to characterize the effects of state conditions of scCO2 on solute solubility will range from fundamental approaches based on cubic Equations of State to empirical density-based approaches (Chrastil’s equation). Finally, procedures will be presented to identify and remove outliers in inter- and intra-laboratory data using these models. The second part will describe the relationship between the solubility in scCO2 and chemical structure of solutes. Some of the descriptors of chemical structure used for correlation purposes will include solubility parameters, solvatochromic parameters, and other parameters determined using molecular dynamics (MD) simulations using implicit CO2. Uses of MD simulations using explicit CO2 to model solute-solvent interactions from first principles to predict solubilities in scCO2 will be described also. The third and last part will describe our proposal to relate solubility in scCO2 to the chemical structure of solutes relying in measurements using a single experimental device and procedure to remove inter-laboratory biases from data; organic synthesis for controlled modification of chemical substituents in structurally related solutes; and measurement, modeling, and analysis of solubility data in scCO2. Prior efforts using similar approaches, as well as our preliminary work using derivatives of menadione and dichlone will be finally reviewed.