About ChemProject
ChemProject is an easy-to-use, yet powerful rapid chemical synthesis campaign calculation and assessment tool. Enter a sequence of lab scale experiments and obtain all material amounts required for a specific amount of final product of a multi-step synthesis campaign, along with the associated material costs, operating volumes and a waste stream assessment. Also convergent syntheses are supported. Moreover, the tool allows you to easily identify optimization hot spots, to simulate potential improvements and to compare various synthetic approaches according to relevant synthetic criteria.
ChemProject Features
Synthesis Model
ChemProject recognizes a synthesis as a hierarchy of synthetic branches, steps, unit operations and materials. This object model is reflected throughout its user interface, providing specific information for each of these levels and allowing to assess the actual complexity of the synthesis at a glance.
Material Calculations
Syntheses with any number of side branches can be handled, which may be connected to the main branch or to any other side branch, to any level. Material amounts, costs and volumes for a given final product amount are determined, according to the supplied yields, molecular weights, original observed volumes and the source material amounts.
3D Analysis
Interactively adjustable 3D charts provide an instant overview over relevant synthesis parameters in a branch, displaying them in a step-/operation-/value-grid, or, in summary mode, as a 2D chart. Thus, added materials per operation, operating costs, and single material occurrences can easily and intuitively be spotted. Double clicking a data bar leads to the underlying data entry.
Intermediate Analysis
Obtain key information about volume factors, step volumes, PMI, intermediate amounts and intermediate values per mol, as the basis for strategic optimization planning.
Simulations
The effects of modifications of yields, material prices, amounts and other relevant parameters are immediately reflected in the price summary display as soon as they are applied. Also the analysis charts immediately are updated to reflect the new scenario.
Waste Assessment
Material disposal costs, including recycling, often approach or even exceed their acquisition costs. Therefore their assessment is essential for a complete synthesis evaluation. ChemProject provides the required tools.
Synthesis Comparison
Syntheses can be visually compared, e.g. for monitoring the progress of a synthesis development over time, or to assess the efficiency of different approaches towards a final product. The chart detail info can be interactively adjusted to different needs.
Reports
A rich set of reports is provided, ranging from a detailed unit operation overview, through a series of summary levels up to a complete materials list for the synthesis. Reports can also be exported as Excel and PDF documents.
Document Store
Documents can be embedded on the synthesis-, branch- and step-level in user-definable groups. When saving, these documents are compressed and become part of the single project file, also allowing portable access.