Low Mach number fluctuating hydrodynamics model for ionic liquids

被引:5
|
作者
Klymko, Katherine [1 ]
Nonaka, Andrew [2 ]
Bell, John B. [2 ]
Carney, Sean P. [3 ]
Garcia, Alejandro L. [4 ]
机构
[1] Lawrence Berkeley Natl Lab, Computat Chem Mat & Climate, Berkeley, CA 94720 USA
[2] Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA
[3] Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA
[4] San Jose State Univ, Dept Phys & Astron, San Jose, CA 95192 USA
关键词
DOUBLE-LAYER; EQUILIBRIUM MORPHOLOGY; DYNAMICS; SIMULATION; INTERFACE; ELECTROCHEMISTRY; ELECTROLYTES; CAPACITANCE; TRANSPORT; SCHEMES;
D O I
10.1103/PhysRevFluids.5.093701
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We present a new mesoscale model for ionic liquids based on a low Mach number fluctuating hydrodynamics formulation for multicomponent charged species. The low Mach number approach eliminates sound waves from the fully compressible equations leading to a computationally efficient incompressible formulation. The model uses a Gibbs free-energy functional that includes enthalpy of mixing, interfacial energy, and electrostatic contributions. These lead to a new fourth-order term in the mass equations and a reversible stress in the momentum equations. We calibrate our model using parameters for [DMPI+][F6P-], an extensively studied room temperature ionic liquid (RTIL), and numerically demonstrate the formation of mesoscopic structuring at equilibrium in two and three dimensions. In simulations with electrode boundaries the measured double-layer capacitance decreases with voltage, in agreement with theoretical predictions and experimental measurements for RTILs. Finally, we present a shear electroosmosis example to demonstrate that the methodology can be used to model electrokinetic flows.
引用
收藏
页数:23
相关论文
共 50 条
  • [1] Low Mach number fluctuating hydrodynamics for electrolytes
    Peraud, Jean-Philippe
    Nonaka, Andy
    Chaudhri, Anuj
    Bell, John B.
    Donev, Aleksandar
    Garcia, Alejandro L.
    PHYSICAL REVIEW FLUIDS, 2016, 1 (07):
  • [2] Fluctuating hydrodynamics for ionic liquids
    Lazaridis, Konstantinos
    Wickham, Logan
    Voulgarakis, Nikolaos
    PHYSICS LETTERS A, 2017, 381 (16) : 1431 - 1438
  • [3] LOW MACH NUMBER FLUCTUATING HYDRODYNAMICS OF BINARY LIQUID MIXTURES
    Nonaka, Andy
    Sun, Yifei
    Bell, John B.
    Donev, Aleksandar
    COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE, 2015, 10 (02) : 163 - 204
  • [4] Low Mach number fluctuating hydrodynamics of multispecies liquid mixtures
    Donev, Aleksandar
    Nonaka, Andy
    Bhattacharjee, Amit Kumar
    Garcia, Alejandro L.
    Bell, John B.
    PHYSICS OF FLUIDS, 2015, 27 (03)
  • [5] LOW MACH NUMBER FLUCTUATING HYDRODYNAMICS OF DIFFUSIVELY MIXING FLUIDS
    Donev, Aleksandar
    Nonaka, Andy
    Sun, Yifei
    Fai, Thomas G.
    Garcia, Alejandro L.
    Bell, John B.
    COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE, 2014, 9 (01) : 47 - 105
  • [6] Low Mach number limit for the quantum hydrodynamics system
    Donatelli, Donatella
    Marcati, Pierangelo
    RESEARCH IN THE MATHEMATICAL SCIENCES, 2016, 3
  • [7] Modelling low Mach number stellar hydrodynamics with MAESTROeX
    Harpole, A.
    Fan, D.
    Katz, M. P.
    Nonaka, A. J.
    Willcox, D. E.
    Zingale, M.
    14TH INTERNATIONAL CONFERENCE ON NUMERICAL MODELING OF SPACE PLASMA FLOWS (ASTRONUM-2019), 2020, 1623
  • [8] MAESTRO: A low Mach number stellar hydrodynamics code
    Alrngreni, A. S.
    Bell, J. B.
    Zingale, M.
    SCIDAC 2007: SCIENTIFIC DISCOVERY THROUGH ADVANCED COMPUTING, 2007, 78
  • [9] Low Mach number limit for the quantum hydrodynamics system
    Donatella Donatelli
    Pierangelo Marcati
    Research in the Mathematical Sciences, 3
  • [10] A consistent approach for the coupling of radiation and hydrodynamics at low Mach number
    Dubroca, Bruno
    Seaid, Mohammed
    Teleaga, Ioan
    JOURNAL OF COMPUTATIONAL PHYSICS, 2007, 225 (01) : 1039 - 1065