An integral equation method is presented for the 1D steady-state Poisson-Nernst-Planck equations modeling ion transport through membrane channels. The differential equations are recast as integral equations using Green's 3rd identity yielding a fixed-point problem for the electric potential gradient and ion concentrations. The integrals are discretized by a combination of midpoint and trapezoid rules and the resulting algebraic equations are solved by Gummel iteration. Numerical tests for electroneutral and non-electroneutral systems demonstrate the method's 2nd order accuracy and ability to resolve sharp boundary layers. The method is applied to a 1D model of the K$^+$ ion channel with a fixed charge density that ensures cation selectivity. In these tests, the proposed integral equation method yields potential and concentration profiles in good agreement with published results.
翻译:摘要:本文通过数值模拟研究了湍流下的各向异性水下沙漏尾部形态。我们采用了拉格朗日追踪方法来模拟尾部后面的湍流。得到了不同回转数下的平均流线、与横向平均速度相关的流体横向应力和归一化的 Reynolds 长度。此外,本文还研究了尾部弯曲角度和回转数对流体流动的影响。结果表明:尾部弯曲角度和回转数都会影响流体横向应力和归一化的 Reynolds 长度,从而对尾部形态产生影响。