Matches in SemOpenAlex for { <https://semopenalex.org/work/W34984941> ?p ?o ?g. }
Showing items 1 to 86 of
86
with 100 items per page.
- W34984941 abstract "The thesis is focused on two major subjects: - Calculation of free energy is of great help in the study of any molecular system. The free energy determines phase behaviour of colloids and polymer solutions. It also controls the conformational properties of single macromolecules, e.g. DNA, proteins, copolymers. One of the most robust computer simulation techniques for free energy estimation is an Expanded Ensemble approach which is used throughout all the present work. Starting with a simple lattice polymer model, we develop and test an iterative procedure that makes the method automatic and accurate. Then we apply it to various polymer systems. The ideas behind a few similar approaches for overcoming rough free energy barriers lead to a non-equilibrium simulation method that yields e.g. the Gibbs free energy profile, G(V)=F(V)+pV. The latter is a direct route to phase diagrams which are invaluable when studying a thermodynamic system. This way we investigate the phase behaviour of constrained polymer systems. - Surface force calculation: another application of the expanded ensemble is to equalize the chemical potential of a polymer solution confined to a planar pore while changing its width. Forces acting along and perpendicular to the surfaces are then obtained by usual means of statistical mechanics and from the thermodynamic relations, the surface free energy in particular. A number of different polymer systems were dealt with in this framework. (Less)" @default.
- W34984941 created "2016-06-24" @default.
- W34984941 creator A5019332803 @default.
- W34984941 date "2003-01-01" @default.
- W34984941 modified "2023-09-23" @default.
- W34984941 title "Free Energy and Surface Forces in polymer systems: Monte Carlo Simulation Studies" @default.
- W34984941 hasPublicationYear "2003" @default.
- W34984941 type Work @default.
- W34984941 sameAs 34984941 @default.
- W34984941 citedByCount "1" @default.
- W34984941 countsByYear W349849412021 @default.
- W34984941 crossrefType "dissertation" @default.
- W34984941 hasAuthorship W34984941A5019332803 @default.
- W34984941 hasConcept C105795698 @default.
- W34984941 hasConcept C121332964 @default.
- W34984941 hasConcept C121684516 @default.
- W34984941 hasConcept C121864883 @default.
- W34984941 hasConcept C134786449 @default.
- W34984941 hasConcept C141780669 @default.
- W34984941 hasConcept C146477669 @default.
- W34984941 hasConcept C147597530 @default.
- W34984941 hasConcept C159985019 @default.
- W34984941 hasConcept C171889981 @default.
- W34984941 hasConcept C185592680 @default.
- W34984941 hasConcept C186370098 @default.
- W34984941 hasConcept C192562407 @default.
- W34984941 hasConcept C19499675 @default.
- W34984941 hasConcept C195839 @default.
- W34984941 hasConcept C2524010 @default.
- W34984941 hasConcept C2776799497 @default.
- W34984941 hasConcept C33923547 @default.
- W34984941 hasConcept C41008148 @default.
- W34984941 hasConcept C521977710 @default.
- W34984941 hasConcept C59593255 @default.
- W34984941 hasConcept C62520636 @default.
- W34984941 hasConcept C97355855 @default.
- W34984941 hasConcept C99874945 @default.
- W34984941 hasConceptScore W34984941C105795698 @default.
- W34984941 hasConceptScore W34984941C121332964 @default.
- W34984941 hasConceptScore W34984941C121684516 @default.
- W34984941 hasConceptScore W34984941C121864883 @default.
- W34984941 hasConceptScore W34984941C134786449 @default.
- W34984941 hasConceptScore W34984941C141780669 @default.
- W34984941 hasConceptScore W34984941C146477669 @default.
- W34984941 hasConceptScore W34984941C147597530 @default.
- W34984941 hasConceptScore W34984941C159985019 @default.
- W34984941 hasConceptScore W34984941C171889981 @default.
- W34984941 hasConceptScore W34984941C185592680 @default.
- W34984941 hasConceptScore W34984941C186370098 @default.
- W34984941 hasConceptScore W34984941C192562407 @default.
- W34984941 hasConceptScore W34984941C19499675 @default.
- W34984941 hasConceptScore W34984941C195839 @default.
- W34984941 hasConceptScore W34984941C2524010 @default.
- W34984941 hasConceptScore W34984941C2776799497 @default.
- W34984941 hasConceptScore W34984941C33923547 @default.
- W34984941 hasConceptScore W34984941C41008148 @default.
- W34984941 hasConceptScore W34984941C521977710 @default.
- W34984941 hasConceptScore W34984941C59593255 @default.
- W34984941 hasConceptScore W34984941C62520636 @default.
- W34984941 hasConceptScore W34984941C97355855 @default.
- W34984941 hasConceptScore W34984941C99874945 @default.
- W34984941 hasOpenAccess W34984941 @default.
- W34984941 hasRelatedWork W126066213 @default.
- W34984941 hasRelatedWork W1870974257 @default.
- W34984941 hasRelatedWork W1995398449 @default.
- W34984941 hasRelatedWork W2012654776 @default.
- W34984941 hasRelatedWork W2023526200 @default.
- W34984941 hasRelatedWork W2036779143 @default.
- W34984941 hasRelatedWork W2038957482 @default.
- W34984941 hasRelatedWork W2048135294 @default.
- W34984941 hasRelatedWork W2057788617 @default.
- W34984941 hasRelatedWork W2067703087 @default.
- W34984941 hasRelatedWork W2084079559 @default.
- W34984941 hasRelatedWork W2084768675 @default.
- W34984941 hasRelatedWork W2092523222 @default.
- W34984941 hasRelatedWork W2101725332 @default.
- W34984941 hasRelatedWork W2111196884 @default.
- W34984941 hasRelatedWork W2121621599 @default.
- W34984941 hasRelatedWork W2214751015 @default.
- W34984941 hasRelatedWork W2862165934 @default.
- W34984941 hasRelatedWork W2996741666 @default.
- W34984941 hasRelatedWork W2044090330 @default.
- W34984941 isParatext "false" @default.
- W34984941 isRetracted "false" @default.
- W34984941 magId "34984941" @default.
- W34984941 workType "dissertation" @default.