School of Aerospace and Mechanical Engineering, The University of Oklahoma, Norman, Oklahoma 73019, USA.
J Chem Phys. 2013 Sep 28;139(12):124905. doi: 10.1063/1.4821816.
The effect of bilayer membrane structures and fluctuation amplitudes on small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS) profile is investigated based on harmonic motions of the surfactant bilayers with bending as well as thickness fluctuation motions. In this study we consider the case in which the wavelength of the bilayer membrane is shorter than the thickness of the membrane. We find that the thickness of the surfactant bilayer membrane, d(m), affects both q(dip) and q(peak) of I(q,0) profile, and that the fluctuation amplitude, a, of the membrane changes the peak of I(q,0). A simple formula is derived to estimate the thickness of the bilayer based on the q(dip) of the profile obtained from the simulation. The resulting estimates of the thickness of the bilayer with harmonic motion showed accuracy within 1%. Moreover, the bilayer thicknesses estimated from the proposed formula show an excellent agreement with the SANS and SAXS experimental results available in the literatures. We also propose a curve fit model, which describes the relationship between the fluctuation amplitude and the normalized q(peak) ratio. The present results show the feasibility of the simple formula to estimate the fluctuation amplitude based on the SANS and SAXS profiles.
基于双层膜的弯曲和厚度涨落运动的谐运动,研究了双层膜结构和涨落幅度对小角中子散射(SANS)和小角 X 射线散射(SAXS)谱的影响。在这项研究中,我们考虑了双层膜的波长比膜的厚度短的情况。我们发现,表面活性剂双层膜的厚度 d(m) 影响 I(q,0) 谱的 q(dip) 和 q(peak),并且膜的涨落幅度 a 改变了 I(q,0) 的峰值。推导出了一个简单的公式,用于根据模拟得到的谱的 q(dip)来估计双层的厚度。基于谐运动得到的双层厚度的估计值在 1%以内具有很高的精度。此外,从所提出的公式中估计的双层厚度与文献中可用的 SANS 和 SAXS 实验结果非常吻合。我们还提出了一个曲线拟合模型,描述了涨落幅度与归一化 q(peak)比之间的关系。目前的结果表明,基于 SANS 和 SAXS 谱,使用简单公式估计涨落幅度是可行的。