CADET is an open source modeling and simulation framework for column liquid chromatography. The software is freely distributed to both academia and industry under the GPL license (http://github.com/modsim/cadet). CADET is based on a core simulator that is written in object oriented C++ and applies modern mathematical algorithms for efficiently solving a variety of customary chromatography models. This simulation engine is interfaced to a suite of MATLAB tools for setting up and executing the most common scientific workflows, e.g., model calibration, process design, robustness analysis, statistical analysis, and experimental design. The model library and numerical methods are continuously extended and improved. For instance, binding models with multiple bound states, pH and/or temperature dependence of binding parameters, surface diffusion, and arbitrary spacing of the radial discretization have been recently added. Moreover, numerical accuracy and computational speed of the code are comprehensively benchmarked using high precision reference solutions and realistic model problems. Versatility of the CADET modeling platform is demonstrated with several examples that are also published as open source code and can be freely adapted to specific use cases. In one of several case studies, sequential and simultaneous optimization of elution gradient shape and cut times are compared for a three component separation. This process is designed to achieve Pareto optimal purity and yield of the central fraction. Moreover, the robustness of these designs with respect to typical process variations is systematically studied. The last case study illustrates the optimal design of experiments for estimating model parameters with maximal accuracy.

CADET是用于柱液相色谱的开源建模和仿真框架。该软件已根据GPL许可（http://github.com/modsim/cadet）自由分发给学术界和工业界。CADET基于以面向对象的C ++编写的核心模拟器，并应用了现代数学算法来有效地求解各种常规色谱模型。该仿真引擎与一套MATLAB工具接口，用于设置和执行最常见的科学工作流程，例如模型校准，过程设计，鲁棒性分析，统计分析和实验设计。模型库和数值方法在不断扩展和改进。例如，具有多个结合状态的结合模型，结合参数的pH和/或温度依赖性，表面扩散，最近增加了径向离散的任意间距。此外，使用高精度参考解决方案和实际模型问题对代码的数值精度和计算速度进行了全面基准测试。CADET建模平台的多功能性通过几个示例进行了演示，这些示例也以开放源代码的形式发布，可以自由地适应特定的用例。在几个案例研究之一中，比较了洗脱梯度形状和切割时间的顺序和同时优化，以进行三组分分离。设计该过程以实现帕累托最优中央部分的纯度和产率。此外，系统地研究了这些设计相对于典型工艺变化的鲁棒性。