Valekar Pradeep, Buckner Ira S
Graduate School of Pharmaceutical Sciences, Duquesne University, Pittsburgh, Pennsylvania 15282, United States.
Mol Pharm. 2025 Aug 4;22(8):5050-5061. doi: 10.1021/acs.molpharmaceut.5c00709. Epub 2025 Jul 14.
The tensile strength of powder mixtures is a function of the strength of particle-particle contacts broken as the compact fails. Previous attempts to model compact strength based on interparticulate contacts have assumed pairwise interactions (1-to-1 interactions) between adjacent particles. This assumption, which originates from gaseous systems, may not adequately describe the behavior of consolidated systems, in which multiple adjacent particles interact simultaneously. In this study, interparticle contacts were modeled using higher-order interactions to predict the tensile strength of the compacted powder mixtures. Pairwise interactions are either completely cohesive or completely adhesive. The present model defines interactions in terms of multiple particles, leading to a distribution of distinct adhesive interactions whose strength is reflected by the composition of the interacting particle cluster. We have found that fourth-order interactions seem to produce the most accurate predictions, which is consistent with observations of interparticle interactions in consolidated systems. This model was evaluated using compacted mixtures containing diverse materials and compared to previously reported mixture prediction models. This new model produced superior predictions in all cases, with deviations between predicted and measured strength of ≤0.22 MPa on average.
粉末混合物的拉伸强度是压坯破坏时颗粒间接触强度的函数。以往基于颗粒间接触对压坯强度进行建模的尝试都假定相邻颗粒之间存在成对相互作用（1对1相互作用）。这种源于气体系统的假设可能无法充分描述固结系统的行为，在固结系统中多个相邻颗粒会同时相互作用。在本研究中，使用高阶相互作用对颗粒间接触进行建模，以预测压实粉末混合物的拉伸强度。成对相互作用要么是完全内聚的，要么是完全粘附的。本模型根据多个颗粒定义相互作用，导致产生不同粘附相互作用的分布，其强度由相互作用颗粒簇的组成反映。我们发现四阶相互作用似乎能产生最准确的预测结果，这与固结系统中颗粒间相互作用的观察结果一致。使用含有多种材料的压实混合物对该模型进行评估，并与先前报道的混合物预测模型进行比较。在所有情况下，这个新模型都产生了更好的预测结果，预测强度与实测强度之间的偏差平均≤0.22MPa。
