Three-dimensional Pore Volume and Surface Diffusion Model (3D-PVSDM) was implemented to predict the adsorption of acetaminophen, ketoprofen, and ibuprofen inside ZnAl/biochar composite. The experimental results revealed that ZnAl/biochar composite presented a remarkable potential as adsorbent in the studied adsorption systems since the maximum adsorption capacity was 1,108.43 mg/g for acetaminophen, 1,081.35 mg/g for ketoprofen, and 1,032.81 mg/g for ibuprofen. The equilibrium adsorption of acetaminophen was well fitted by Freundlich isotherm, while Henry isotherm properly adjusted the equilibrium adsorption of ketoprofen and ibuprofen. The 3D-PVSDM simulations indicated that the surface diffusion flux was the priority transport mechanism during the adsorption of acetaminophen, ketoprofen, and ibuprofen onto ZnAl/biochar composite. Therefore, it was possible to neglect the pore volume diffusion and apply the simplified three-dimensional Surface Diffusion Model (3D-SDM) to accurately simulate the mass transport of pharmaceutical compounds on ZnAl/biochar composite. The surface diffusion coefficients ranged from 2.58 × 10⁻⁹ to 9.52 × 10⁻⁹ cm²/s for acetaminophen, from 1.87 × 10⁻⁹ to 8.21 × 10^-9 cm²/s for ibuprofen, and from 1.15 × 10^-9 to 1.65 × 10⁻⁹ cm²/s for ketoprofen.

实施了三维孔体积和表面扩散模型（3D-PVSDM），以预测对乙酰氨基酚，酮洛芬和布洛芬在ZnAl /生物炭复合物中的吸附。实验结果表明，ZnAl /生物炭复合物在所研究的吸附系统中具有巨大的吸附潜力，因为对乙酰氨基酚的最大吸附容量为1,108.43 mg / g，酮洛芬的最大吸附容量为1,081.35 mg / g，布洛芬的最大吸附容量为1,032.81 mg / g。对乙酰氨基酚的平衡吸附与Freundlich等温线完全吻合，而Henry等温线适当地调节了酮洛芬和布洛芬的平衡吸附。3D-PVSDM模拟表明表面扩散通量是对乙酰氨基酚，酮洛芬和布洛芬在ZnAl /生物炭复合材料上的吸附过程中的优先传输机制。因此，可以忽略孔体积的扩散并应用简化的三维表面扩散模型（3D-SDM）来准确模拟ZnAl /生物炭复合材料上药物化合物的质量传输。表面扩散系数范围为2.58×10对乙酰氨基酚为⁻⁹至9.52×10 ^-9cm² / s，布洛芬为1.87×10 ⁻⁹至8.21×10 ^-9cm² / s，酮洛芬为1.15×10 ^-9至1.65×10 ^-9cm² / s 。