Beyer et al., 2022 - Google Patents
Simulations explain the swelling behavior of hydrogels with alternating neutral and weakly acidic blocksBeyer et al., 2022
View PDF- Document ID
- 2331651317974142194
- Author
- Beyer D
- Kosovan P
- Holm C
- Publication year
- Publication venue
- Macromolecules
External Links
Snippet
We used computer simulations to study the equilibrium swelling of weak (pH-responsive) polyelectrolyte hydrogels as a function of pH and salt concentration in a supernatant solution. Our simulations were designed to represent recently synthesized gels composed of …
- 230000002522 swelling 0 title abstract description 63
Classifications
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- G—PHYSICS
- G06—COMPUTING; CALCULATING; COUNTING
- G06F—ELECTRICAL DIGITAL DATA PROCESSING
- G06F19/00—Digital computing or data processing equipment or methods, specially adapted for specific applications
- G06F19/70—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds
- G06F19/701—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for molecular modelling, e.g. calculation and theoretical details of quantum mechanics, molecular mechanics, molecular dynamics, Monte Carlo methods, conformational analysis or the like
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