eprintid: 3503
rev_number: 8
eprint_status: archive
userid: 1
dir: disk0/00/00/35/03
datestamp: 2003-06-05 11:19:09
lastmod: 2014-04-03 12:57:03
status_changed: 2012-08-14 15:08:10
type: doctoralThesis
metadata_visibility: show
creators_name: Hayashi, Tomohiro
title: Computer simulation of water near model organic surfaces : interfacial behavior and hydration forces
title_de: Computersimulationen des Verhaltens von Wasser an organischen Oberflächen und der dazugehörigen Hydratationskräfte
ispublished: pub
subjects: 540
divisions: 120300
adv_faculty: af-12
keywords: Proteinresistenzcomputer simulation , Water , Monte Carlo , hydration force , biomaterial
cterms_swd: Hydratation
cterms_swd: Hydratationswärme
cterms_swd: Computersimulation
cterms_swd: Markov-Ketten-Monte-Carlo-Verfahren
cterms_swd: Monte Carlo
cterms_swd: Oberflächenspektroskopie
cterms_swd: Oberflächenstruk
note: Teile in: Phys. Chem. Chem. Phys. 3 (2001) 1598, J. Chem. Phys. 117 (2002) 6271, J. Phys. Chem. B (2002) 12274, Langmuir 19 (2003) 2284
abstract: Hydration forces between organic solid surfaces were investigated by grand canonical Monte Carlo simulations. Our interests are forcued on the hydration forces at separation enough large for the water layering to decay.  My work is devided into two parts. First, in order to investigate what kind of factors governs the sign and magnitude of hydration force, we model strucureless walls. We found that hydration force is determined not only the strength of surface-water interection, but also orienting effect of water. In the second part, we simulated the interface of water and oligo(ethylene glycol) terminated alkanethiol SAMs. We found that hydration force is not responsible for the resistance of surfaces to protein adsorption. Hydroxyl ions are responsible for long-ranged repulsion between proteins and the surface.
abstract_translated_text: Hydratationskräfte zwischen organischen Festkörperoberflächen wurden mit Hilfe der Grand Canonical Monte Carlo Simulation berechnet.
abstract_translated_lang: ger
class_scheme: pacs
class_labels: 05.10.Ln, 05.70.Np
date: 2003
date_type: published
id_scheme: DOI
id_number: 10.11588/heidok.00003503
ppn_swb: 1643463969
own_urn: urn:nbn:de:bsz:16-opus-35030
date_accepted: 2003-05-26
advisor: HASH(0x564e1c6ec250)
language: eng
bibsort: HAYASHITOMCOMPUTERSI2003
full_text_status: public
citation:   Hayashi, Tomohiro  (2003) Computer simulation of water near model organic surfaces : interfacial behavior and hydration forces.  [Dissertation]     
document_url: https://archiv.ub.uni-heidelberg.de/volltextserver/3503/1/hayashi_diss.pdf