Literature DB >> 32116401

Data Quality and Assessment, Validation Methods and Error Propagation through the Simulation Software: Report from the Round-Table Discussion at the 10th World Congress of Chemical Engineering in Barcelona (October 1-5, 2017).

P M Mathias1, A Soto2, L Fele-Zilnik3, J-C de Hemptinne4, A Bazyleva5, J Abildskov6.   

Abstract

The issues of data quality and propagation of data uncertainties into process design and plant specifications are of great current interest. Hence, two Working Parties of the European Federation of Chemical Engineers (EFCE) organized a Round Table Discussion on the topic, as part of the World Congress of Chemical Engineering (WCCE10) in Barcelona, in October 2017. The discussion was guided by industrial and academic experts, with the audience as a key part of the discussion, trying to find some answers in three areas: Data acquisition and evaluation of experimental uncertainties, tools for data reconciliation to improve their quality, and impact of data uncertainties on the process at the end. Several concrete stories are presented that demonstrate the importance of considering data quality and all possible contributions to the uncertainty of chemical process design. Difficulties associated with data quality are discussed at various levels: (1) the experimentalists (measurement issues, evaluation of uncertainties, use of consistency analysis tools); (2) model developers (capture of adequate physics, parameter regression strategies, uncertainty propagation), (3) vendors of process simulation software, and (4) process engineers (who are responsible at the end). Paths for improvements were proposed through better and more efficient communication among different participants, as well as through education.

Entities:  

Keywords:  data quality and assessment; data reconciliation; error propagation; process simulation; uncertainties

Year:  2018        PMID: 32116401      PMCID: PMC7047723          DOI: 10.1016/j.cherd.2018.08.010

Source DB:  PubMed          Journal:  Chem Eng Res Des        ISSN: 0263-8762            Impact factor:   3.739


  4 in total

Review 1.  Experimental methods for phase equilibria at high pressures.

Authors:  Ralf Dohrn; José M S Fonseca; Stephanie Peper
Journal:  Annu Rev Chem Biomol Eng       Date:  2012-04-05       Impact factor: 11.059

2.  Efficient DLPNO-CCSD(T)-Based Estimation of Formation Enthalpies for C-, H-, O-, and N-Containing Closed-Shell Compounds Validated Against Critically Evaluated Experimental Data.

Authors:  Eugene Paulechka; Andrei Kazakov
Journal:  J Phys Chem A       Date:  2017-05-25       Impact factor: 2.781

3.  ThermoData Engine (TDE): software implementation of the dynamic data evaluation concept. 8. Properties of material streams and solvent design.

Authors:  Vladimir Diky; Robert D Chirico; Chris D Muzny; Andrei F Kazakov; Kenneth Kroenlein; Joseph W Magee; Ilmutdin Abdulagatov; Jeong Won Kang; Rafiqul Gani; Michael Frenkel
Journal:  J Chem Inf Model       Date:  2012-12-19       Impact factor: 4.956

4.  Limited options for low-global-warming-potential refrigerants.

Authors:  Mark O McLinden; J Steven Brown; Riccardo Brignoli; Andrei F Kazakov; Piotr A Domanski
Journal:  Nat Commun       Date:  2017-02-17       Impact factor: 14.919

  4 in total
  1 in total

1.  Validation of thermophysical data for scientific and engineering applications.

Authors:  Vladimir Diky; Ala Bazyleva; Eugene Paulechka; Joseph W Magee; Vikina Martinez; Demian Riccardi; Kenneth Kroenlein
Journal:  J Chem Thermodyn       Date:  2019       Impact factor: 3.178

  1 in total

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