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Author: search.filters.author.Woodley, John M.

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    Item type:Publication,
    Process model validation and analysis for intensification of an industrial scale process
    (2019-01-01)
    Chinda, Renata
    ;
    Ponsatorn, Rotjana
    ;
    Anantpinijwatna, A.
    ;
    Pessoa, Fernando P.
    ;
    Woodley, John M.
    Adopting reliable process models is one of the main requisites for wide spread use of process models in industry for design, control, operation and troubleshooting purposes. Validating a model against operational conditions is a plausible way to guarantee assurance and reproducibility of model outputs. Economic and sustainability analysis together with process intensification (PI) can provide feasible solutions for industrial hot-spot identification and removal. In this work, an industrial scale urea plant was modelled and simulated in a commercial process simulator. More than thirty different industrial process parameters were statistically analysed and used to perform the model validation. Economic and sustainability analyses were performed and the main hot-spots were identified. Process intensification at phenomena-level was employed to obtain more sustainable intensified process flowsheets. The results show that economic and environmental factors can be improved to reliable extent since the process model is closely replicating the reality in the base case and it fits well with industrial data.
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    A reaction database for small molecule pharmaceutical processes integrated with process information
    (2017-12-01)
    Papadakis, Emmanouil
    ;
    Anantpinijwatna, Amata
    ;
    Woodley, John M.
    ;
    Gani, Rafiqul
    This article describes the development of a reaction database with the objective to collect data for multiphase reactions involved in small molecule pharmaceutical processes with a search engine to retrieve necessary data in investigations of reaction-separation schemes, such as the role of organic solvents in reaction performance improvement. The focus of this reaction database is to provide a data rich environment with process information available to assist during the early stage synthesis of pharmaceutical products. The database is structured in terms of reaction classification of reaction types; compounds participating in the reaction; use of organic solvents and their function; information for single step and multistep reactions; target products; reaction conditions and reaction data. Information for reactor scale-up together with information for the separation and other relevant information for each reaction and reference are also available in the database. Additionally, the retrieved information obtained from the database can be evaluated in terms of sustainability using well-known "green" metrics published in the scientific literature. The application of the database is illustrated through the synthesis of ibuprofen, for which data on different reaction pathways have been retrieved from the database and compared using "green" chemistry metrics.