ChromX is a versatile preparative chromatography simulation software. It aims to integrate into standard laboratory workflows and make model-based process development available to process engineers that relied on Design-of-Experiments in the past. While putting usability first, the high performance, flexibility and extensibility are reason why the academic version of ChromX is meanwhile used in more than 15 countries.
The modular architecture of ChromX allows to simulate any kind of single and multi-column process in any relevant mode of chromatography. Many isotherm equations are built-in, custom models can be added.
Our simulation backend framework lets you configure the process and gets your running within minutes, keeping you from all the fuss of numerical equation solving.
Easy & Powerful User Interface
The ChromX software provides access to the control features of your chromatography process, dimensions, flow rates, buffer concentrations, sample injection, etc. Unknown parameters can be easily estimated, control parameters can be optimized.
Choose Model and Define Experiments
Model calibration starts with a single chromatography step. First, the underlying models are chosen, e.g. radial flow in capsules or axial flow in columns, a pore diffusion model and an adsorption isotherm. Many isotherm equations for IEX, HIC and Mixed-Mode are built-in, custom models can be added.
In a second step, known system parameter such as column dimensions are entered and the distinguishable components of the sample are defined.
At this point, all necessary information are given to start the simulation and generate a chromatogram.
Model Calibration from .xls Files
In case system- or component-specific parameters are unknown, estimation by curve fitting can be employed to find the unknown values. Different deterministic and heuristic algorithms can be used for this task.
Chromatograms are imported as .xls files as generated by standard lab equipment. As the first and so far only software for mechanistic modeling of preparative chromatography, ChromX supports direct simulation in [mAU] instead of molar or mass concentrations.
Perform Robustness Studies
The same algorithms used for parameter optimization can also be used for process optimization. Complex and/or competing objectives can be defined. Once the optimal set point is found, latin hypercube sampling can be used to evaluate the robustness of the process and the impact of process parameters on objectives or quality attributes, respectively. The results can be exported for post-processing with statistical data analysis software.