Statistical dataset on water sorption isotherms in roasted specialty coffee (Coffee arabica L.)

This work presents a comprehensive dataset of adsorption isotherms and infrared spectral data for roasted specialty coffee (Coffea arabica L.). The dataset includes adsorption isotherms for whole roasted beans and ground coffee at medium (850 µm) and fine (600 µm) particle sizes. Adsorption isotherms were experimentally determined using the Dynamic Dewpoint Isotherm (DDI) method, considering a water activity range from 0.1 to 0.9 and temperatures of 25, 35, and 45 °C. Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy was used to characterize the coffee samples spectrally. The dataset also provides two calibrated sorption models: Peleg and Double Logarithm Polynomial (DLP), which are highly suitable for practical applications, allowing users to predict the equilibrium moisture content of coffee as a function of water activity, temperature, and coffee type (whole beans or ground coffee). These tools offer valuable insights for researchers, coffee producers, and decision-makers in computing critical parameters related to roasted specialty coffee's shelf life, determining optimal packaging materials, and understanding the hygroscopic properties of coffee. The calibrated models could be used to optimize coffee storage processes and improve the understanding of water sorption behavior in different particle sizes. The dataset compiles the experimental adsorption isotherms and infrared spectra in Excel sheets according to the experimental conditions and replicates. Furthermore, this dataset includes different MATLAB® R2023a (The MathWorks Inc., Natick, MA, USA) files where the models have been calibrated with the experimental adsorption isotherms using the “Curve Fitting” tool and are available for their use in the coffee industry.本研究构建了一套针对烘焙精品阿拉比卡咖啡（Coffea arabica L.）的吸附等温线与红外光谱数据集。该数据集涵盖烘焙整豆与不同粒径研磨咖啡的吸附等温线，粒径分别为中等（850 µm）与精细（600 µm）。吸附等温线的实验测定采用动态露点等温法（Dynamic Dewpoint Isotherm, DDI），实验覆盖的水分活度范围为0.1至0.9，测试温度分别为25、35与45 ℃。采用衰减全反射-傅里叶变换红外（Attenuated Total Reflectance-Fourier Transform Infrared, ATR-FTIR）光谱法对咖啡样品进行光谱表征。该数据集还包含两个经过校准的吸附模型：Peleg模型与双对数多项式（Double Logarithm Polynomial, DLP）模型，二者均极具实际应用价值，可帮助用户基于水分活度、温度与咖啡类型（整豆或研磨咖啡）预测咖啡的平衡含水率。这些模型可为研究人员、咖啡生产商与决策者提供宝贵参考，助力其计算与烘焙精品咖啡货架期相关的关键参数、确定最优包装材料，以及解析咖啡的吸湿性。经校准的模型可用于优化咖啡储存流程，加深对不同粒径咖啡水分吸附行为的认知。该数据集依据实验条件与重复测试组别，将实验吸附等温线与红外光谱整理存储于Excel工作表中。此外，本数据集还包含多份MATLAB® R2023a（美国马萨诸塞州内蒂克市The MathWorks Inc.）脚本文件，其中已通过"Curve Fitting"工具基于实验吸附等温线完成模型校准，可供咖啡行业实际使用。