Requirements
Optimising chemical syntheses in combinative chemical industry or developing and optimising products and recipes are processes which are characterised by a multitude of tasks and incidental information. Manual processing and transferring this information causes expenditure of time and is extremely error-prone. An application is needed which combines various computer systems and supports work flow from planning to result evaluation.
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Solution
LABS/R is a recipe, information und management system which supports the complete planning and execution of a development process. Based on projects, primal trials (recipes) can be planned. Afterwards a series of possible basic recipes can be developed manually or using statistical test planning. The basic recipe also contains the tasks of analysing and evaluating. Based on planned preparations submissions are created for corresponding production recipes. These production recipes can then be transferred to machines or process control systems (PCS). Automatically or manually the system records and evaluates all results from the production process as well as from the analysis of the produced material. Finally reports for the order, the experiment and the project can be generated and distributed. It is possible at any time to generate individual evaluations based on the results.
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Functional Range
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Project Management
Basic conditions, objectives and general specifications concerning the project can be made at this point. However, a project may also be automatically set up via the interface. A referencing on external information as chemical structures/MDL or R&D data bases is also possible.
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Experiment
For each project tests can be derived which represent the primal recipe of the process. The primal recipe defines method objective and composition. Apart from the materials employed (solvent, catalysts, reactant or product) it contains methods to be used based on basic functions and operations.
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Design of Experiment
Each test is the base or the test design which describes variations (recipe and method) of the test. The statistical test design DoE is provided for planning the test run. The basic recipe concretes the primal recipe. This concretion is realised allowing for standards (choice of resources) as well as special chemical and technical basic functions and operations. A Gantt diagram (SVG graphic) describes graphically the anticipated sequence of a test run. Thus it helps to realise bottle-necks early. Calculation of the amount of substance takes into account stoichiometric factors, purities, molar masses, density, clearing data, impurities, yield, reaction volume and so on.
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Order Management
Based on planning and individual specifications preparations can be set up and executed as orders. Production recipes needed will be transferred via connected automats (e.g. FlexLab, HEL, Chemscan, HP AutoMate, Surveyor, Anachem) or via process control systems like Siemens PCS 7. Afterwards the results are recorded automatically or manually in the system. They can be displayed as a graphic depending on the registered time. There is also an option to visualise the process. After editing is finished reports can be generated manually or automatically and then sent away.
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For further information please read the following PDF file:  |
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