Search Results - "White, Ronald P"
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1
Polymer Free Volume and Its Connection to the Glass Transition
Published in Macromolecules (14-06-2016)“…In this Perspective we summarize the most widely used definitions of free volume and illustrate the differences between them, including the important…”
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2
Substrate Roughness Speeds Up Segmental Dynamics of Thin Polymer Films
Published in Physical review letters (17-01-2020)“…We show that the segmental mobility of thin films of poly(4-chlorostyrene) prepared under nonequilibrium conditions gets enhanced in the proximity of rough…”
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3
Dynamics across a Free Surface Reflect Interplay between Density and Cooperative Length: Application to Polystyrene
Published in Macromolecules (11-05-2021)“…It is now generally agreed that the most dramatic influence of a free surface on local relaxation dynamics occurs over the first 10 nm from the surface. Using…”
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4
Effect of Interfaces on the Glass Transition of Supported and Freestanding Polymer Thin Films
Published in Macromolecules (23-06-2015)“…We investigate the glass transition behavior in polymer thin films using a model equation-of-state approach, which involves molecular parameters whose values…”
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5
Origins of Unusual Phase Behavior in Polymer/Ionic Liquid Solutions
Published in Macromolecules (23-07-2013)“…Recent experimental studies [ Lee Macromolecules 2012, 45, 3627−3633 ] on polymer/IL solutions of poly(ethylene oxide) (PEO) and 1-ethyl-3-methylimidazolium…”
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6
Connecting Pressure-Dependent Dynamics to Dynamics under Confinement: The Cooperative Free Volume Model Applied to Poly(4-chlorostyrene) Bulk and Thin Films
Published in Macromolecules (23-10-2018)“…We apply our cooperative free volume (CFV) rate model for pressure-dependent dynamics to describe the relaxation times for poly(4-chlorostyrene) (P4ClS) bulk…”
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7
To Understand Film Dynamics Look to the Bulk
Published in Physical review letters (31-07-2020)“…We show that shifts in dynamics of confined systems relative to that of the bulk material originate in the properties of bulk alone, and exhibit the same form…”
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8
Why Volume and Dynamics Decouple in Nanocomposite Matrices: Space that Cannot Be Accessed is Not Free
Published in Physical review letters (07-07-2023)“…Polymer nanocomposites have important material applications and are an ongoing focus of many molecular level investigations, however, puzzling experimental…”
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9
Pressure-Dependent Dynamics of Polymer Melts from Arrhenius to Non-Arrhenius: The Cooperative Free Volume Rate Equation Tested against Simulation Data
Published in Macromolecules (10-07-2018)“…We apply the cooperative free volume (CFV) model to analyze the segmental relaxation times, τ(T,V), of a model 20-mer polymer melt simulated via molecular…”
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10
The cooperative free volume rate model for segmental dynamics: Application to glass-forming liquids and connections with the density scaling approach
Published in The European physical journal. E, Soft matter and biological physics (12-08-2019)“… In this paper, we apply the cooperative free volume (CFV) rate model for pressure-dependent dynamics of glass-forming liquids and polymer melts. We analyze…”
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11
A Simple New Way To Account for Free Volume in Glassy Dynamics: Model-Free Estimation of the Close-Packed Volume from PVT Data
Published in The journal of physical chemistry. B (29-04-2021)“…In this article we focus on the important role of well-defined free volume (V free) in dictating the structural relaxation times, τ, of glass-forming liquids…”
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12
A Simulation Method for Calculating the Absolute Entropy and Free Energy of Fluids: Application to Liquid Argon and Water
Published in Proceedings of the National Academy of Sciences - PNAS (22-06-2004)“…The hypothetical scanning (HS) method is a general approach for calculating the absolute entropy and free energy by analyzing Boltzmann samples obtained by…”
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13
Free Volume, Cohesive Energy Density, and Internal Pressure as Predictors of Polymer Miscibility
Published in Macromolecules (24-06-2014)“…In this paper, we illuminate and predict trends in polymer miscibility using our model understanding of pure component properties. We introduce a new metric…”
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14
Experimental Test of the Cooperative Free Volume Rate Model under 1D Confinement: The Interplay of Free Volume, Temperature, and Polymer Film Thickness in Driving Segmental Mobility
Published in ACS macro letters (15-01-2019)“…We show that the Cooperative Free Volume (CFV) rate model, successful at modeling pressure-dependent dynamics, can be employed to describe the temperature and…”
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15
How Free Volume Does Influence the Dynamics of Glass Forming Liquids
Published in ACS macro letters (16-05-2017)“…In this article we show that inverse free volume is a natural variable for analyzing relaxation data on glass-forming liquids, and that systems obey the…”
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16
Experimental and Modeling Comparison of the Dynamics of Capped and Freestanding Poly(2-chlorostyrene) Films
Published in ACS macro letters (18-01-2022)“…Proximity to a nonrepulsive wall is commonly considered to cause slower dynamics, which should lead to greater relaxation times for capped thin polymer films…”
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17
Thermodynamics of Model PαMSAN/dPMMA Blend: A Combined Study by SANS, Ellipsometry, and Locally Correlated Lattice (LCL) Theory
Published in Macromolecules (25-08-2020)“…We combine experiment and theory to elucidate how small, local, structural changes can impact miscibility in polymer blends. Small-angle neutron scattering…”
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18
Connecting Theory and Experiment To Understand Miscibility in Polymer and Small Molecule Mixtures
Published in Journal of chemical and engineering data (09-10-2014)“…In this article, we discuss applications of our locally correlated lattice (LCL) theory to problems involving small molecules (e.g., simple alkanes), ionic…”
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19
Calculation of the entropy of lattice polymer models from Monte Carlo trajectories
Published in Chemical physics letters (20-07-2005)“…While lattice models are used extensively for macromolecules (synthetic polymers proteins, etc.), calculation of the absolute entropy, S, and the free energy,…”
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20
Free Volume in the Melt and How It Correlates with Experimental Glass Transition Temperatures: Results for a Large Set of Polymers
Published in ACS macro letters (19-05-2015)“…There is a continuing, strong interest in making connections between the polymeric glass transition (T g) and bulk properties. In this Letter we apply the…”
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