ChemBytes -

  Synthesis Model

ChemProject recognizes a synthesis as a collection of branches, steps, unit operations and materials. This object model is reflected throughout its user interface, providing specific information for each of these levels.

  Material Calculations

ChemProject handles syntheses with any number of side branches, which may be connected to the main branch or to any other side branch, to any level. It determines material amounts, costs and volumes for a given final product amount, according to the supplied yields, molweights, original observed volumes and the source material amounts.

  Operation and Materials

Interactively movable 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.

  Step Analysis

This section provides key information about volume factors, step volumes, intermediate amounts and intermediate values per mol. These data often are used as a basis for strategic optimization planning.

  Disposal 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.

 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 be exported to Adobe Acrobat (.pdf), Word (.doc), Excel (.xls) & RTF (.rtf) formats.

  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.

  Price List

The price list plays a central part in cost calculations. ChemProject provides the tools required for creating, maintaining and using price lists. Price lists are always encrypted and can be assigned read- and read/write passwords to ensure data quality and confidentiality.

  Synthesis Comparison

Syntheses can be compared visually , allowing e.g. to monitor the progress of a synthesis development over time, or to assess the efficiency of different approaches towards a final product. The chart content can interactively be adjusted to different needs.

 Document Store

Allows the embedded storage of documents on the synthesis-, branch- and step-level, where they further can be arranged in user-definable groups. When saving, they are compressed and become part of the single project file, thus assuring portable access to these files.

  Runs Per Step

Often the volume required for a step exceeds the available equipment volume and several runs per step are required. This functionality determines this number of runs, based on the required and the actually available unit operation volumes.