Special Issue "Thermodynamics: Modeling and Simulation"
Deadline for manuscript submissions: 31 August 2020.
Interests: thermodynamics, phase-equilibrium, molecular simulation, separation processes
Interests: thermodynamics; process simulation; molecular dynamics simulations; Monte Carlo simulations and methods; statistical mechanics; structure and dynamics of ionic liquids; molecular modeling of DNA, copolymers, and nanoparticle systems
From its origins as a field of study during the Industrial Revolution to model and optimize the process of converting heat to work, thermodynamics remains central to the design and optimization of a wide range of chemical and biological processes, and the improvement of the welfare of society, from the design of novel, green refrigerants and solvents, the removal of emergent contaminants from wastewater, to the formulation of novel pharmaceuticals and beyond.
In this Special Issue, “Thermodynamics: Simulation and Modeling”, we highlight and celebrate the latest developments in thermodynamics research. Topics include but are not limited to the following:
- Thermodynamic models for process modeling, simulation, optimization, and control: equations of state, excess Gibbs free energy models, and related methods;
- Property prediction for early stage process development and design: molecular simulation, electronic structure calculations, and group-contribution methods;
- Molecular thermodynamics for process intensification.
We welcome contributions in the form of full-length articles, short communications, and reviews.
Dr. Andrew S. Paluch
Dr. Juan Carlos Araque
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. Processes 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 1400 CHF (Swiss Francs). Please note that for papers submitted after 30 June 2020 an APC of 1500 CHF applies. 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.
- separation processes
- process simulation
- molecular simulation
- equation of state
- excess Gibbs free energy