Special Issue "Computational Physics and Chemistry Contributions to the Investigation of Ionic Liquids"
A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Statistical Physics".
Deadline for manuscript submissions: closed (31 July 2023) | Viewed by 2194
Special Issue Editors
Interests: Ionic liquids; deep eutectic solvents; fundamental properties and applications; theory and experiments
Special Issues, Collections and Topics in MDPI journals
Interests: ionic liquids; hydrogen; energy
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Ionic liquids have largely been investigated for their peculiar experimental properties and their uncountable applications. From a computational point of view, they pose many challenges, mainly because they are composed of ions, and at ambient temperature and pressure most of them take liquid form, lacking a periodic structure. Describing mixtures of ionic liquids with other ionic liquids or molecular solvents is an even greater challenge.
Computational chemistry and physics provide important contributions for understanding the reported properties of ionic liquids and mixtures, rationalizing them and predicting behaviors that have yet to be experimentally investigated.
We invite contributions to this Special Issue concerning new computational contributions to explain or rationalize ionic liquids’ properties and their use in real applications.
Dr. Annalisa Paolone
Dr. Oriele Palumbo
Guest Editors
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 submissions that pass pre-check are 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. Entropy 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 2600 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.
Keywords
- density functional theory
- molecular dynamics
- ab initio molecular dynamics
- continuum modeling
- COSMO methods
- machine learning