Capone, Fabio
(2016)
Thermodynamics of Polycaprolactone-water systems
Analysis of interactional issues by comparing ab-initio and molecular approaches with a classical lattice
fluid theory of mixtures.
[Tesi di dottorato]
| Tipologia del documento: |
Tesi di dottorato
|
| Lingua: |
English |
| Titolo: |
Thermodynamics of Polycaprolactone-water systems
Analysis of interactional issues by comparing ab-initio and molecular approaches with a classical lattice
fluid theory of mixtures |
| Autori: |
| Autore | Email |
|---|
| Capone, Fabio | fabio.capone@unina.it |
|
| Data: |
31 Marzo 2016 |
| Numero di pagine: |
125 |
| Istituzione: |
Università degli Studi di Napoli Federico II |
| Dipartimento: |
Ingegneria Chimica, dei Materiali e della Produzione Industriale |
| Scuola di dottorato: |
Ingegneria industriale |
| Dottorato: |
Ingegneria dei materiali e delle strutture |
| Ciclo di dottorato: |
28 |
| Coordinatore del Corso di dottorato: |
| nome | email |
|---|
| Mensitieri, Giuseppe | mensitie@unina.it |
|
| Tutor: |
| nome | email |
|---|
| Causà, Mauro | [non definito] |
|
| Data: |
31 Marzo 2016 |
| Numero di pagine: |
125 |
| Parole chiave: |
Polymers, Thermodynamic |
| Settori scientifico-disciplinari del MIUR: |
Area 03 - Scienze chimiche > CHIM/02 - Chimica fisica
Area 09 - Ingegneria industriale e dell'informazione > ING-IND/22 - Scienza e tecnologia dei materiali |
[error in script]
[error in script]
| Depositato il: |
13 Apr 2016 00:27 |
| Ultima modifica: |
31 Ott 2016 10:59 |
| URI: |
http://www.fedoa.unina.it/id/eprint/11080 |
Abstract
Polycaprolactone-water mixtures represent one of the most important polymer solutions with specific interactions in polymer science. Polycaprolactone (PCL) is an aliphatic polyester composed of hexanoate repeat units. It is
a semicrystalline polymer with a degree of crystallinity which can reach 69%. PCL biodegrades within several months to several years depending on the molecular
weight, the degree of crystallinity of the polymer, and the conditions of degradation. Many microbes in nature are able to completely biodegrade PCL.
The amorphous phase is degraded first, resulting in an increase in the degree of crystallinity while the molecular weight remains constant.
Then, cleavage of ester bonds results in mass loss. The polymer degrades by end chain scission at
higher temperatures while it degrades by random chain scission at lower tem-
peratures. PCL degradation is autocatalysed by the carboxylic acids liberated
during hydrolysis but it can also be catalysed by enzymes, resulting in faster
decomposition. While PCL can be enzymatically degraded in the environment,
it cannot be degraded enzymatically in the body. PCL has uses in different
fields such as scaffolds in tissue engineering, in long-term drug delivery systems
(in particular contraceptives delivery ), in microelectronics, as adhesives, and
in packaging. Its wide applicability and interesting properties (controlled degradability, miscibility with other polymers, biocompatibility and potential to
be made from monomers derived from renewable sources) makes PCL a very useful polymer if its properties can be controlled and it can be made inexpens-
ively. This kind of mixtures are often used in biomedical applications where the
property of to be biodegradable is necessary to adsorb and to avoid any clinical
rejection of the implant. Water interactions in the polymer matrix are key rule
in establishing the way and the time of scaffold reconstruction. Although many
studies declare to be capable of handling hydrogen bond in polymer solutions,
often this theory appears descriptive as matter of fact they deal with macroscopic nature of system and materials. A unifications between microscopic and
macroscopic world is steal a matter of controversy. Start with thermodynamics
theories allow us to calculate macroscopic properties of system in exam as accurately as possible. But much less accuracy can be found in the microscopic ones.
Need to explore the phase space of a system, bring us to as a reasonable model as
force field methods. Then we start exploring configuration space by trajectory
provided by a molecular dynamics, This let to provide macroscopic properties
and microscopic. Microscopic properties are the refined in a quantum fashion
as the right configurations An Eos theory aim to describe and relate thermody-
namic properties of matter. Aim of my research is to implement these theory
describing polymer mixtures with specific interaction.
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