TITLE

Continuum estimates of rotational dielectric friction and polar solvation

AUTHOR(S)
Maroncelli, Mark
PUB. DATE
January 1997
SOURCE
Journal of Chemical Physics;1/22/1997, Vol. 106 Issue 4, p1545
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Determines the reliability of dielectric continuum model for estimating dielectric friction effects. Use of dynamical solvation data obtained with the probe solute coumarin 153; Predictions of the Nee-Zwanzig theory of rotational dielectric friction; Continuum treatments of polar solvation dynamics; Electrical interactions between a solute and solvent.
ACCESSION #
4149012

 

Related Articles

  • Energy harvesting of dielectric elastomer generators concerning inhomogeneous fields and viscoelastic deformation. Li, Tiefeng; Qu, Shaoxing; Yang, Wei // Journal of Applied Physics;Aug2012, Vol. 112 Issue 3, p034119 

    Dielectric elastomer generators convert mechanical work into electrical energy. Previous tests on membrane inflation elastomer generators, however, indicated rather low efficiency on energy harvesting. To characterize this phenomenon, an analytical model for viscoelastic dielectric elastomer...

  • SCATTERING BY A MOVING PEC PLANE AND A DIELECTRIC HALF-SPACE IN HERTZIAN ELECTRODYNAMICS. POLAT, B. // TWMS Journal of Applied & Engineering Mathematics;2012, Vol. 2 Issue 2, p123 

    For a demonstration of the predictions of Hertzian Electrodynamics in scattering problems, a general formulation is provided which is followed by various applications of the presented methodology to 2-D canonical problems involving a Perfect Electrical Conductor (PEC) plane and a dielectric...

  • Time-dependent non-equilibrium dielectric response in QM/continuum approaches. Ding, Feizhi; Lingerfelt, David B.; Mennucci, Benedetta; Xiaosong Li // Journal of Chemical Physics;2015, Vol. 142 Issue 3, p1 

    The Polarizable Continuum Models (PCMs) are some of the most inexpensive yet successful methods for including the effects of solvation in quantum-mechanical calculations of molecular systems. However, when applied to the electronic excitation process, these methods are restricted to...

  • Electrowetting with contact line pinning: Computational modeling and comparisons with experiments. Walker, Shawn W.; Shapiro, Benjamin; Nochetto, Ricardo H. // Physics of Fluids;Oct2009, Vol. 21 Issue 10, p102103 

    This work describes the modeling and simulation of planar electrowetting on dielectric devices that move fluid droplets by modulating surface tension effects. The fluid dynamics are modeled by Hele-Shaw type equations with a focus on including the relevant boundary phenomena. Specifically, we...

  • A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium. Floris, Franca Maria; Filippi, Claudia; Amovilli, Claudio // Journal of Chemical Physics;8/21/2012, Vol. 137 Issue 7, p075102 

    We present density functional theory (DFT) and quantum Monte Carlo (QMC) calculations of the glutamic acid and glutamate ion in vacuo and in various dielectric continuum media within the polarizable continuum model (PCM). In DFT, we employ the integral equation formalism variant of PCM while, in...

  • van der Waals interactions across stratified media. Podgornik, R.; Parsegian, V.A. // Journal of Chemical Physics;2/15/2004, Vol. 120 Issue 7, p3401 

    Working at the Lifshitz level, we investigate the van der Waals interactions across a series of layers with a periodic motif. We derive the complete form of the van der Waals interaction as an explicit function of the number of periodic layers. We then compare our result with an approximation...

  • Electrodynamics and quantum capacity of LixFePO4 battery material. Craco, L.; Leoni, S. // Applied Physics Letters;11/7/2011, Vol. 99 Issue 19, p192103 

    We report on optical conductivity and dielectric properties of pure and electron-doped FePO4, an attractive material for the next generation of lithium-ion batteries. Using the local-density-approximation plus dynamical mean-field theory for the real multi-orbital case we show the importance of...

  • Nonlocal continuum electrostatic theory predicts surprisingly small energetic penalties for charge burial in proteins. Bardhan, Jaydeep P. // Journal of Chemical Physics;9/14/2011, Vol. 135 Issue 10, p104113 

    We study the energetics of burying charges, ion pairs, and ionizable groups in a simple protein model using nonlocal continuum electrostatics. Our primary finding is that the nonlocal response leads to markedly reduced solvent screening, comparable to the use of application-specific protein...

  • Sound Effects.  // Scholastic SuperScience;Oct2004, Vol. 16 Issue 2, p10 

    Focuses on sound waves.

Share

Read the Article

Courtesy of

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics