表面电荷和环境因素对纤维与病毒样颗粒静电相互作用的影响：以冠状病毒为例
Effects of surface charge and environmental factors on the electrostatic interaction of fiber with virus-like particle: A case of coronavirus
摘要：
我们提出了一个理论模型来阐明病毒和底物之间的分子间静电相互作用。我们的模型将病毒视为具有表面电荷的均质颗粒，将呼吸器的聚合物纤维视为带电平面。病毒和纤维周围的电势受病毒表面电荷分布的影响。我们使用泊松-玻尔兹曼方程来计算电势。然后，Derjaguin的近似和一个线性叠加的潜在功能扩展到确定的静电力。在这项工作中，我们将此模型应用于冠状病毒或SARS-CoV-2的情况下，数值结果定量地同意先前的模拟。我们发现，纤维的潜在的病毒的表面电荷的影响是重要的，并考虑在相互作用计算，以获得更好的准确性。静电相互作用随着分离距离的增加而显著衰减，并且当添加更多盐时，该曲线变得更陡。虽然相互作用力随着加热而增加，但当环境为酸性时，可以观察到排斥-吸引转变。
英文摘要：
We propose a theoretical model to elucidate intermolecular electrostatic interactions between a virus and a substrate. Our model treats the virus as a homogeneous particle having surface charge and the polymer fiber of the respirator as a charged plane. Electric potentials surrounding the virus and fiber are influenced by the surface charge distribution of the virus. We use Poisson-Boltzmann equations to calculate electric potentials. Then, Derjaguin's approximation and a linear superposition of the potential function are extended to determine the electrostatic force. In this work, we apply this model for coronavirus or SARS-CoV-2 case and numerical results quantitatively agree with prior simulation. We find that the influence of fiber's potential on the surface charge of the virus is important and is considered in interaction calculations to obtain better accuracy. The electrostatic interaction significantly decays with increasing separation distance, and this curve becomes steeper when adding more salt. Although the interaction force increases with heating, one can observe the repulsive-attractive transition when the environment is acidic.
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