A sequential design of experiments was used to optimize the MOF-801 synthesis process for toluene adsorption. First, mixture design was employed on optimizing precursor concentration. Three chemical materials, fumaric acid, N,N-dimethylformamide and formic acid, were selected to optimize their composition using extreme vertices design methods. By analysis of variance (ANOVA), the model was expected to be acceptable for statistical prediction. The optimal precursor composition for the synthesis of MOF-801 was predicted on a molar basis as fallows: ZrOCl₂·8H₂O: fumaric acid: dimethylformamide: formic acid=1.0: 1.7: 43.3: 39.5. Thereafter, 2³ factorial design was selected to investigate the effect of synthesis reaction conditions such as temperature, time and stirring speed. By the statistical analysis of eight adsorption runs, stirring speed could be excluded in further investigation. Central composite design with synthesis time and temperature was performed to optimize the synthesis process. The results were estimated using the quadratic model equation derived through nine synthesis experiments. Using this model, it was predicted that MOF-801 prepared under the synthesis time and temperature of 158 °C and 12 h, respectively, had the maximum amount of toluene adsorption. Indeed, after synthesizing MOF-801 with the optimized synthesis conditions, an actual adsorption capacity of the samples was 151.9 mg/g, close to the predicted value of 95.5%.

使用顺序设计的实验来优化 MOF-801 合成过程的甲苯吸附。首先，混合设计用于优化前体浓度。选择富马酸、N,N-二甲基甲酰胺和甲酸这三种化学材料，使用极端顶点设计方法优化它们的成分。通过方差分析 (ANOVA)，预计该模型可用于统计预测。MOF-801合成的最佳前体组成以摩尔为基础预测为：ZrOCl ₂ ·8H ₂ O：富马酸：二甲基甲酰胺：甲酸=1.0：1.7：43.3：39.5。此后，2 ³选择析因设计来考察合成反应条件如温度、时间和搅拌速度的影响。通过对八次吸附运行的统计分析，在进一步调查中可以排除搅拌速度。使用合成时间和温度进行中心复合设计以优化合成过程。使用通过九个综合实验得出的二次模型方程估计结果。使用该模型预测，分别在 158 ℃和 12 h 的合成时间和合成温度下制备的 MOF-801 的甲苯吸附量最大。事实上，在优化合成条件下合成 MOF-801 后，样品的实际吸附量为 151.9 mg/g，接近预测值 95.5%。