张自如， 张文心， 戴红阳， 王佳乐， 楼之涵， 李然， 韩韧

上海理工大学 光电信息与计算机工程学院，上海 200093

引用格式：

张自如， 张文心， 戴红阳， 等. 真实口腔模型中的药粉颗粒传播机制［J］. 中国粉体技术， 2026， 32（6）： 1-16.

Citation:Zhang Ziru， Zhang Wenxin， Dai Hongyang， et al. Transport mechanisms of pharmaceutical powder particles in a realistic oral cavity model［J］. China Powder Science and Technology， 2026， 32（6）： 1-16.

DOI：10.13732/j.issn.1008-5548.2026.06.006

收稿日期： 2026-01-28， 修回日期： 2026-04-23， 上线日期： 2026-06-23。

基金项目： 国家自然科学基金项目，编号：12002213。

第一作者： 张自如（2001—），女，硕士生，研究方向为计算机在医药、卫生及生物科学领域的应用。E-mail：1103468654@qq.com。

通信作者： 韩韧（1980—），男，副教授，博士，硕士生导师，研究方向为计算机仿真，智能计算。E-mail：ren.han@usst.edu.cn。李然（1989—），男，讲师，研究方向为光电精密测量及其智能化。E-mail：ran89@usst.edu.cn。

摘要： 【目的】 研究无气流条件下微米级药粉颗粒在真实口腔-咽喉中的运输与沉积过程。【方法】 基于真实计算机断层扫描（computed tomography，CT）数据构建半理想化口腔-咽喉三维模型，采用数值模拟与壁面碰撞-反弹-黏附接触模型，分别探讨发射速度、表面能参数与发射角度的单因素效应及其组合效应；通过控制变量数值实验，结合颗粒轨迹重构、动能衰减分析与口腔九区域分区沉积统计对沉积机制进行对比评估。【结果】 随着发射速度增大，颗粒平均动能增大且反弹概率增加，前口腔沉积减少而远端区域沉积增加；高表面能条件（如表面能为0.30 J/m²）使颗粒更易在初次碰撞后附着并增加前段沉积，低表面能条件下多次碰撞导致能量衰减路径更复杂；小仰角（0°~15°）更利于前向推进进入远端区域，而大仰角（30°~45°）易上抛撞击口腔顶部并提前沉积；综合比较显示最优组合为发射速度为2.0 m/s、发射角度为15°、表面能为0.20 J/m²，对应动能衰减更平缓且沉积分布更均匀，递送效率最高。【结论】 发射速度、表面能与发射角度三者共同调控颗粒的运输与沉积分布，三者合理匹配时，可兼顾动能保持、沉积分布减少与递送效率提升。

关键词： 可吸入药粉颗粒； 口咽模型； 数值模拟； 沉积行为； 表面能； 发射速度； 发射角度

Abstract

Objective This study investigates the transport and deposition process of micron-sized pharmaceutical powder particles in a realistic oral-pharyngeal model under no-airflow conditions. Considering that practical oral drug delivery is usually accompanied by airflow disturbances， the no-airflow condition is selected as a fundamental research scenario to clarify the controlling roles of initial emission characteristics and wall interactions on the early-stage transport and deposition of pharmaceutical powder particles. On this basis， the coupled effects of initial emission velocity， surface energy， and emission angle on particle kinetic energy evolution and deposition distribution in nine oral regions are analyzed. It quantitatively characterizes early-stageloss mechanisms in the oral cavity，providing a basis for optimizing spray parameters of inhalation devices.

Methods A semi-idealized three-dimensional oral-pharyngeal model was constructed based on real CT data.While preserving the main geometric characteristics related to particle transport，the model was appropriately simplified to facilitate numerical simulations and comparative analysis.Particle motion was then simulated numerically using a wall-contact model that included collision， rebound， and adhesion.To evaluate the influence of initial emission conditions，both single-factor effect and the combined effects of emission velocity， surface energy， and emission angle were investigated.Controlled numerical experiments were designed by varying one parameter at a time， and representative parameter combinations were compared，allowing clearer identification of individual and coupled influence on particle transport and deposition. During the simulations，the full process from particle release to final deposition was tracked. Particle trajectories were reconstructed analyze particle migration in the oral-pharyngeal passage and to identify differences in motion patterns under different parameter settings.At the same time，the temporal evolution of particle kinetic energy was examined to characterize energy attenuation during repeated wall interactions.In addition，final particle deposition was statistically quantified in nine oral regions to compare regional deposition tendencies under different release conditions.By combining controlled-variable numerical experiments with trajectory reconstruction，kinetic-energy attenuation analysis，and regional deposition statistics，the deposition mechanisms were comparatively evaluated from the perspectives of motion behavior，energy dissipation， and spatial distribution.

Results and Discussion The results showed that early-stage particle transport and deposition were jointly affected by emission velocity，surface energy， and emission angle.As emission velocity increased， the average kinetic energy of particles rose， and the probability of rebound after wall impact also increased，resulting in reduced anterior deposition in oral cavity and increased deposition in downstream regions，especially Regions 7—9.This indicated that higher initial velocity reduced early-stage loss of particles and promoted particle migration toward deeper regions of the oral-pharyngeal passage，although its actual effect remained constrained by release direction and wall adhesion.Surface energy mainly affected the balance between post-impact adhesion and continued transport.Under high surface-energy conditions，such as γ=0.30 J/m²，particles were more likely to adhere upon first contact，which increased anterior deposition and reduced further migration.In contrast，under low surface-energy conditions， particles were less likely to adhere immediately after impact，and repeated collisions and rebounds occurred more easily，leading to more complex pathways of energy attenuation.Emission angle also showed a significant effect on particle transport and deposition.Small elevation angles， particularly 0°~15°，were more favorable for forward transport into downstream regions，whereas larger elevation angles of 30°~45°tended to direct particles upward，increasing collisions with the oral cavity roof and promoting premature deposition.Overall，the comparative results indicated that early-stage particle transport and deposition were controlled by the coupled effects of emission velocity，emission angle， and surface energy， rather than by any single factor alone. Among the tested conditions，the optimal combination was identified as V=2.0 m/s，θ=15°，and γ=0.20 J/m²，under which kinetic energy attenuation was relatively smoother，the regional deposition distribution was more uniform， and the delivery efficiency was maximized.

Conclusion Under no-airflow conditions， early-stage transport and deposition distribution of particles are jointly regulated by emission velocity， emission angle， and surface energy. By influencing post-collision kinetic energy， rebound behavior， and wall adhesion， these three factors collectively determine particle transport capability and early-stage loss within the oral cavity. Higher emission velocity facilitates transport toward deeper regions of the oral cavity， but this effect is still constrained by emission direction and adhesive forces. Larger upward angles intensify collisions with the upper wall and aggravate deposition， whereas higher surface energy enhances particle adhesion after the initial collision and suppresses subsequent transport. Optimal performance is achieved only when these three parameters are properly balanced， enabling enhanced kinetic energy retention， reduced deposition， and improved delivery efficiency.

Keywords： inhalable drug particle； oral-pharyngeal model； numerical simulation； deposition behavior； surface energy； emission velocity； emission angle

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