Modeling and Simulation of Electrochemical and Biological Membranes: From Model Geometries to Real 3D Structures
A special issue of Membranes (ISSN 2077-0375). This special issue belongs to the section "Biological Membrane Dynamics and Computation".
Deadline for manuscript submissions: closed (20 December 2021) | Viewed by 300
Special Issue Editors
Interests: phenomenological modeling; inverse problems; ion selective electrodes, corrosion; transport phenomena in real 3D micro/nano structures
Special Issues, Collections and Topics in MDPI journals
2. Dept of Applied Mathematics, Illinois Institute of Technology, Chicago, IL 60616, USA
Interests: Ion channels; mathematical molecular biology
Special Issue Information
Dear Colleagues,
Computer-based simulations provide a unique opportunity to understand and predict behaviour of electrochemical and biological membranes. Modeling is most powerful when it is strongly tied to the experiment. When used together, computer modeling can provide a deeper and more flexible understanding of materials and processes than possible by experiments alone. Modeling can also predict the behaviour in conditions for which there are no experimental data and/or allow to investigate systems with so many parameters that performing all possible experiments is not feasible or would be very costly.
Membrane systems allow a few atoms to control macroscopic function on length scales 107 larger, and time scales 1011 slower than atomic length and time scales. It is not possible to directly compute with accuracy over this range of variables so a hierarchy of models is needed, each building on the other. A crucial component in the construction of hierarchical models are conservation laws of charge and mass. A hierarchy of models, satisfying these conservation laws, can show how atoms control macroscopic function.
This special issue is devoted to the numerical modelling of membranes across multiple length scales. One of the main goal is to demonstrate the need of model-based design and control strategies as the route for improving the performance, reliability and robustness of the electrochemical membranes. Topics covered in this issue include, but are not limited to:
- mathematical modeling of electrochemical and biological membranes;
- ion-selective membranes used in electrochemical sensors;
- numerical methods;
- experimental verification of the models and
- the inverse problems.
Atomic, nano-, micro-, meso-, and macro-scale modeling as well as multi-scale approaches are the subject of interest. Computer simulations in a real 3D membrane micro/nano structures, obtained e.g. by computed tomography, are strongly desired. Authors are invited to submit their latest results; both original papers and reviews are welcome.
Dr. Robert Filipek
Prof. Robert S. Eisenberg
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. Membranes 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 2700 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
- Electrochemical and biological membranes
- Modeling and simulation
- Multiscale modeling
- Inverse problems
- Real 3D micro/nano structures
