Molecular simulation of nucleation in polymers

QR Code

Molecular simulation of nucleation in polymers

We develop several new algorithms using molecular simulation to investigate the nucleation barrier of a single, freely-jointed polymer chain. In the first part of the thesis, we use a free particle model to develop a new biasing technique, which uses an automated feedback mechanism to overcome the p...

Full description

Bibliographic Details
Main Author:	Wicks, Thomas J.
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2016
Online Access:	https://eprints.nottingham.ac.uk/32012/

Similar Items

Analytical models of polymer nucleation
by: Hamer, Matthew James
Published: (2013)

The Molecular Mechanism of Iron(III) Oxide Nucleation
by: Scheck, J., et al.
Published: (2016)

Biosynthesis and characterization of MgO nanoparticles from plant extracts via induced molecular nucleation
by: Jeevanandam, J., et al.
Published: (2017)

Understanding the nucleation and growth mechanisms of calcium oxalate in aqueous solution by computer simulation
by: Zhao, Wen
Published: (2017)

Nucleate boiling on prepared surface
by: Sellamuthu, Santhana Kumari
Published: (2012)

Simulation of Calcium Phosphate Pre-Nucleation Clusters in Aqueous Solution: Association Beyond Ion Pairing
by: Garcia, Natalya, et al.
Published: (2019)

Effect of hydrogen on dislocation nucleation in alloy 718
by: Stenerud, G., et al.
Published: (2017)

Temperature Gradient Field Theory of Nucleation
by: Das, S., et al.
Published: (2016)

Prenucleation clusters and non-classical nucleation
by: Gebauer, Denis, et al.
Published: (2011)

On classical and non-classical views on nucleation
by: Gebauer, Denis, et al.
Published: (2018)

Nucleation kinetics assessment for carbamazepine co-crystals crystallised
by: S., Abd Rahim, et al.
Published: (2016)

Nucleation in Al Alloys Processed By MCDC Casting
by: A. K., Prasada Rao
Published: (2015)

Characterisation and nucleation kinetics of carbamazepinesaccharin co-crystal
by: Khairool Azizul, Mohammad
Published: (2020)

Pre-nucleation clusters as solute precursors in crystallisation
by: Gebauer, Denis, et al.
Published: (2014)

The influence of pH on barite nucleation and growth
by: Ruiz-Agudo, C., et al.
Published: (2015)

Unphysical nucleation of diamond in the extended cutoff Tersoff potential
by: Aghajamali, Alireza, et al.
Published: (2018)

Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate
by: Raiteri, Paolo, et al.
Published: (2010)

Nucleation Kinetics of Carbamazepine-Saccharin (CBZ-SAC) Co-Crystal
by: Khairool Azizul, Mohammad, et al.
Published: (2014)

Hydration effects on the stability of calcium carbonate pre-nucleation species
by: Burgos-Cara, A., et al.
Published: (2017)

Hydration dynamics in CaCO3 nucleation by THz spectroscopy
by: Sebastiani, F., et al.
Published: (2017)

High-resolution insights into the early stages of silver nucleation and growth
by: Völkle, C., et al.
Published: (2015)

Nucleation and growth rates of lactose as affected by ultrasound in aqueous solutions
by: Zamanipoor, M., et al.
Published: (2013)

Kinetics of crystal nucleation in ionic solutions: Electrostatics and hydration forces
by: Kowacz, M., et al.
Published: (2010)

Computational exploration of the pre-nucleation, growth and thermodynamics of carbonate minerals
by: Gale, Julian, et al.
Published: (2012)

Osteopontin Stabilizes Metastable States Prior to Nucleation during Apatite Formation
by: Ibsen, C., et al.
Published: (2016)

Kinetics and nucleation mechanism of carbamazepine–saccharin co-crystals in ethanol solution
by: Mohammad, Khairool Azizul, et al.
Published: (2017)

Kinetics and Nucleation Mechanism of Carbamazepine–Saccharin Co-Crystals in Ethanol Solution
by: Khairool Azizul, Mohammad, et al.
Published: (2017)

A review on radiation-induced nucleation and growth of colloidal metallic nanoparticles
by: Abedini, Alam, et al.
Published: (2013)

Promotion of nucleation for nano-particle formation by two-stage microwave irradiation
by: Saptoro, Agus, et al.
Published: (2017)

Exploring the influence of organic species on pre- and post-nucleation calcium carbonate
by: Raiteri, Paolo, et al.
Published: (2012)

Nucleation of amorphous calcium carbonate: A combined theoretical and experimental perspective
by: Gale, Julian, et al.
Published: (2011)

Mechanisms and kinetics of nucleation and growth of copper by electrocrystallization: Macro- versus Micro-electrode approach
by: Tadesse, Bogale, et al.
Published: (2011)

On-surface formation of polymers and molecular networks
by: Browning, Abigail S.
Published: (2019)

Amuse-field. II. Nucleation of early-type galaxies in the field versus cluster environment
by: Baldassare, V., et al.
Published: (2014)

Effect Of Nucleation Time With TMAl Preflow Assistance On Reducing Dislocation Density Of Aln Layer For
by: Samsudin, M. E. A., et al.
Published: (2020)

Nucleation events and metastable zone width of mefenamic acid polymorph in ethyl acetate
by: Abdul Mudalip, Siti Kholijah, et al.
Published: (2017)

The impact of direct nucleation control on crystal size distribution in pharmaceutical crystallization processes
by: Abu Bakar, Mohd Rushdi, et al.
Published: (2009)

Studying the effects of nucleating agents on texture modification of puffed corn-fish snack
by: Shahmohammadi, Hamid Reza, et al.
Published: (2014)

Nucleation and early stages of layer-by-layer growth of metal organic frameworks on surfaces
by: Summerfield, Alex, et al.
Published: (2015)

Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes
by: Pylypenko, Olena, et al.
Published: (2016)