Gawrys Keith L, Kilpatrick Peter K
Department of Chemical Engineering, North Carolina State University, Raleigh, NC 27965-7905, USA.
J Colloid Interface Sci. 2005 Aug 15;288(2):325-34. doi: 10.1016/j.jcis.2005.03.036.
Small-angle neutron scattering (SANS) has proven to be very useful for deducing the sizes and morphologies of asphaltenic aggregates in solution. A wide variety of intra-particle structure factors have previously been applied to SANS scattering spectra, but the studies often provided limited information concerning the quality of the fits and the Q range over which the models were applied. Selection of an appropriate form factor that closely approximates the structure of asphaltenic aggregates is important for determining the properties of asphaltenic aggregates, such as the radius of gyration (R(G)), molar mass, and apparent fractal dimension. This study evaluates various mono- and polydisperse intra-particle structure factor models as applied to four asphaltene scattering spectra. Agreement of the model fit parameters (I(0) and R(G)) with those obtained from Guinier analyses suggests that such a form factor model is physically reasonable. Reduced chi2 values for each non-linear least squares fit indicates how well a given model fits to the entire Q range studied for the scattering intensity distribution. In the polydispersity analyses, an analytical function is introduced to model the scattering behavior of oblate cylinders with a Schultz distribution of radii. Results indicate that the polydisperse radius oblate cylinder model best approximates the shape of asphaltenic aggregates.
小角中子散射(SANS)已被证明在推断溶液中沥青质聚集体的尺寸和形态方面非常有用。此前,各种各样的颗粒内结构因子已被应用于SANS散射光谱,但这些研究通常提供的关于拟合质量和模型应用的Q范围的信息有限。选择一个能紧密近似沥青质聚集体结构的合适形状因子对于确定沥青质聚集体的性质很重要,比如回转半径(R(G))、摩尔质量和表观分形维数。本研究评估了应用于四个沥青质散射光谱的各种单分散和多分散颗粒内结构因子模型。模型拟合参数(I(0)和R(G))与从吉尼尔分析获得的参数的一致性表明,这样的形状因子模型在物理上是合理的。每个非线性最小二乘拟合的约化χ²值表明给定模型对所研究的整个散射强度分布的Q范围的拟合程度。在多分散性分析中,引入了一个解析函数来模拟半径具有舒尔茨分布的扁圆柱的散射行为。结果表明,多分散半径扁圆柱模型最能近似沥青质聚集体的形状。