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Hydrocarbon and Polyethylene Glycol ...

Macias, Elizabeth.

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Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly./
Author:	Macias, Elizabeth.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2023,
Description:	157 p.
Notes:	Source: Dissertations Abstracts International, Volume: 84-12, Section: B.
Contained By:	Dissertations Abstracts International84-12B.
Subject:	Physics. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=30309899
ISBN:	9798379741136

Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly.
Macias, Elizabeth.

Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly. - Ann Arbor : ProQuest Dissertations & Theses, 2023 - 157 p.

Source: Dissertations Abstracts International, Volume: 84-12, Section: B.

Thesis (Ph.D.)--Iowa State University, 2023.

.

I provide a computational study for two methods for the assembly of nanoparticles into ordered structures; small systems, a solvent-evaporation and salt-induced method. For solvent-evaporation we compute evaporation times for nanoparticle numbers ranging between 2 and 19. The lower range relaxation times is linearly dependent on nanoparticle number, in agreement with previous findings. At larger nanoparticle number the dependence is to the power of 2/3, in agreement with our predictions, as we show in detail. Equilibrium structures are shown to have interparticle distances in agreement with the Orbifold Topological model with a strong tendency towards icosahedral order. For salt-induced assembly, we look at the solubility of PEO in salty water since it is a fundamental aspect of salt-induced assembly that has not been thoroughly understood. We develop a model focusing on hydrogen bond networks and in turn phase diagrams for salted aqueous PEO. The role of electrostatic correlations such as Bjerrum pairing is thoroughly studied. We compare the model predictions with molecular dynamics simulations.

ISBN: 9798379741136Subjects--Topical Terms:

516296
Physics.
Subjects--Index Terms:

Electrolyte solutions

Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly.
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245 1 0 $a Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2023
300 $a 157 p.
500 $a Source: Dissertations Abstracts International, Volume: 84-12, Section: B.
500 $a Advisor: Travesset, Alex.
502 $a Thesis (Ph.D.)--Iowa State University, 2023.
506 $a .
520 $a I provide a computational study for two methods for the assembly of nanoparticles into ordered structures; small systems, a solvent-evaporation and salt-induced method. For solvent-evaporation we compute evaporation times for nanoparticle numbers ranging between 2 and 19. The lower range relaxation times is linearly dependent on nanoparticle number, in agreement with previous findings. At larger nanoparticle number the dependence is to the power of 2/3, in agreement with our predictions, as we show in detail. Equilibrium structures are shown to have interparticle distances in agreement with the Orbifold Topological model with a strong tendency towards icosahedral order. For salt-induced assembly, we look at the solubility of PEO in salty water since it is a fundamental aspect of salt-induced assembly that has not been thoroughly understood. We develop a model focusing on hydrogen bond networks and in turn phase diagrams for salted aqueous PEO. The role of electrostatic correlations such as Bjerrum pairing is thoroughly studied. We compare the model predictions with molecular dynamics simulations.
590 $a School code: 0097.
650 4 $a Physics. $3 516296
650 4 $a Condensed matter physics. $3 3173567
650 4 $a Physical chemistry. $3 1981412
650 4 $a Nanotechnology. $3 526235
653 $a Electrolyte solutions
653 $a Hydrocarbons
653 $a Molecular dynamics
653 $a Nanoparticles
653 $a Polyethylene glycol
653 $a Solvent evaporation
690 $a 0605
690 $a 0611
690 $a 0652
690 $a 0494
710 2 $a Iowa State University. $b Physics and Astronomy. $3 1669197
773 0 $t Dissertations Abstracts International $g 84-12B.
790 $a 0097
791 $a Ph.D.
792 $a 2023
793 $a English
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=30309899