Continuum estimates of rotational dielectric friction and polar solvation

Maroncelli, Mark
January 1997
Journal of Chemical Physics;1/22/1997, Vol. 106 Issue 4, p1545
Academic Journal
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.


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...

  • Mesoscopic Modeling for Continua with Pores: Dynamic Void Growth in Viscoplastic Materials. Weinberg, Kerstin; Böhme, Thomas; Muschik, W.; Papenfuss, C. A. // Journal of Non-Equilibrium Thermodynamics;2008, Vol. 33 Issue 1, p25 

    The temporal development of arbitrarily distributed voids in a viscoplastic material under different loading regimes is investigated. For this reason, we make use of a mesoscopic continuum model extending the classical space–time domain of continuum mechanics. This extended domain...

  • Determination method of constitutive model parameters of dielectric elastomer material. E, Shi-Ju; Chen, Yi-Kai; Cao, Jian-Bo; Li, Jia-Ling; Gao, Zhao; Luo, Han-Pin; Li, Xiao-Mei; Pan, Xin // AIP Advances;Jan2020, Vol. 10 Issue 1, p1 

    The energy conversion process of dielectric elastomers is an electromechanical coupling behavior, and the constitutive model of the material is the basis for studying electromechanical coupling characteristics. In order to explore the constitutive model of dielectric elastomers, based on the...

  • 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...

  • 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...

  • RHEOLOGICAL PROPERTIES OF ER-FLUIDS IN TERM OF MULTIPARTICLE PHYSICAL MODEL AND MONTE-CARLO COMPUTER SIMULATION. Yanovsky, Yu. G.; Zgaevskii, V. E.; Teplukhin, A. V.; Karnet, Yu. N. // International Journal of Modern Physics B: Condensed Matter Phys;4/10/2005, Vol. 19 Issue 7-9, p1184 

    An electrorheological fluids (ERF) are the suspensions consisting of dielectric rigid particles in the viscous (or viscoelastic) media. Based on the three-dimensional well-ordered multi-particle model (the crystal model) we describe rheological properties of ERF. We use the model of cubic...


Read the Article


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

Try another library?
Sign out of this library

Other Topics