Modelling protein solutions in membrane separation processes - from simple patchy colloids to realistic representation of proteins.
Public support
Provider
Czech Science Foundation
Programme
Standard projects
Call for proposals
SGA0202600001
Main participants
Univerzita Karlova / Přírodovědecká fakulta
Contest type
VS - Public tender
Contract ID
26-21358S
Alternative language
Project name in Czech
Modelling protein solutions in membrane separation processes - from simple patchy colloids to realistic representation of proteins.
Annotation in Czech
We aim to create and validate a novel coarse-grained modelling approach for predicting acid-base equilibria in protein solutions separated from a buffer by a semi-permeable membrane. Such predictive modelling is crucial for optimising industrial separation processes like dialysis or ultra/dia-filtration. Models based on the mean-field approximation, commonly used in the industry, sometimes fail to predict the charge on proteins and the pH in the protein solution because they do not account for the irregular shapes of proteins, their charge distribution and protein-protein interactions. By accounting for these factors, our simulations will not only improve the prediction of pH, protein charge and ion partitioning but also enable predicting phase separation and precipitation as a function of pH, which is impossible with current models. We will validate our modelling using dialysis experiments on well-known proteins. If successful, our approach will enhance the fundamental physico-chemical understanding needed to improve optimization of industrial processes.
Scientific branches
R&D category
ZV - Basic research
OECD FORD - main branch
10403 - Physical chemistry
OECD FORD - secondary branch
10404 - Polymer science
OECD FORD - another secondary branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
CEP - equivalent branches <br>(according to the <a href="http://www.vyzkum.cz/storage/att/E6EF7938F0E854BAE520AC119FB22E8D/Prevodnik_oboru_Frascati.pdf">converter</a>)
BM - Solid-state physics and magnetism<br>CD - Macromolecular chemistry<br>CF - Physical chemistry and theoretical chemistry
Solution timeline
Realization period - beginning
Jan 1, 2026
Realization period - end
Dec 31, 2028
Project status
Z - Beginning multi-year project
Latest support payment
—
Data delivery to CEP
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data delivery code
CEP26-GA0-GA-R
Data delivery date
Apr 29, 2026
Finance
Total approved costs
10,755 thou. CZK
Public financial support
10,755 thou. CZK
Other public sources
0 thou. CZK
Non public and foreign sources
0 thou. CZK