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Controlling Soft Materials Self-asse...

Gartner, Thomas Edward, III.

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Controlling Soft Materials Self-assembly Through Macromolecular Design and Solvent Processing: Theory and Simulations.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Controlling Soft Materials Self-assembly Through Macromolecular Design and Solvent Processing: Theory and Simulations./
作者:	Gartner, Thomas Edward, III.
出版者:	Ann Arbor : ProQuest Dissertations & Theses, : 2019,
面頁冊數:	350 p.
附註:	Source: Dissertations Abstracts International, Volume: 81-05, Section: B.
Contained By:	Dissertations Abstracts International81-05B.
標題:	Chemical engineering. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=13901619
ISBN:	9781687973795

Controlling Soft Materials Self-assembly Through Macromolecular Design and Solvent Processing: Theory and Simulations.
Gartner, Thomas Edward, III.

Controlling Soft Materials Self-assembly Through Macromolecular Design and Solvent Processing: Theory and Simulations. - Ann Arbor : ProQuest Dissertations & Theses, 2019 - 350 p.

Source: Dissertations Abstracts International, Volume: 81-05, Section: B.

Thesis (Ph.D.)--University of Delaware, 2019.

This item must not be sold to any third party vendors.

Controlling the structure and self-assembly of polymers and soft materials is a key step in enabling their application as functional materials for technology, human health, and the environment. To satisfy performance metrics for these diverse applications, researchers are constantly developing new polymer chemistries, macromolecular architectures, assembly paradigms, and processing approaches. However, controlling the interplay between equilibrium driving forces and kinetic limitations in polymer and colloidal self-assembly, though crucial to appropriately harnessing these new techniques, remains a challenge. In this thesis, we apply coarse-grained molecular dynamics (CG-MD) simulations and liquid state theory to probe the interplay between two complementary approaches to control polymer and colloidal self-assembly: tuning the intra- and inter-molecular interactions that drive assembly via manipulating the molecular-level design of a macromolecule, and controlling the thermodynamics and dynamics of a soft material via solvent processing techniques. Specifically, we examine the effects of changing polymer architecture (e.g., linear, cyclic, star) and chemistry (e.g., the balance of hydrophobic vs. hydrophilic segments in an amphiphilic macromolecule) on the structure and thermodynamics of soft materials in a variety of solution environments. The cross-section of work highlighted herein spans a range of fields, from computational method development, to fundamental polymer physics, to applied nanotechnology and nanomaterials development. In each case, we designed appropriate CG models and simulation protocols to capture the key macromolecular driving forces for assembly and mimic the relevant solvent processing techniques. Then, we synergistically applied simulations, theory, and experiments to elucidate the mechanistic pathways that underlie the assembled structures. In this thesis, we hope to highlight several diverse examples where our combined simulation/theory/experiment approach can assist in the development of new functional materials for technological and societal impact.

ISBN: 9781687973795Subjects--Topical Terms:

560457
Chemical engineering.
Subjects--Index Terms:

Polymers

Controlling Soft Materials Self-assembly Through Macromolecular Design and Solvent Processing: Theory and Simulations.
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