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  • 1 Chemical Engineering Department, Institut Químic de Sarri´, Universitat Ramon Llull Via Augusta 390, 08017 Barcelona Via Augusta 390, 08017 Barcelona
  • | 2 R&D Department, Esteve Quimica, S.A. Caracas 17-19, 08030 Barcelona, Spain Caracas 17-19, 08030 Barcelona, Spain
  • | 3 Chemical Engineering Department, Institut Químic de Sarri´, Universitat Ramon Llull Via Augusta 390, 08017 Barcelona Via Augusta 390, 08017 Barcelona
  • | 4 Chemical Engineering Department, Institut Químic de Sarri´, Universitat Ramon Llull Via Augusta 390, 08017 Barcelona Via Augusta 390, 08017 Barcelona
  • | 5 Chemical Engineering Department, Institut Químic de Sarri´, Universitat Ramon Llull Via Augusta 390, 08017 Barcelona Via Augusta 390, 08017 Barcelona
  • | 6 R&D Department, Esteve Quimica, S.A. Caracas 17-19, 08030 Barcelona, Spain Caracas 17-19, 08030 Barcelona, Spain
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Summary  

Estimation methods developed over years by S. W. Benson and co-workers for calculation the thermodynamic properties of organic compounds in the gas phase are applied to a pharmaceutical real process with all type of non-idealities. The different strategies used to calculate the reaction enthalpy of a chemical process, in the absence of data for complex molecules, using the Benson group additivity method are presented and also compared with the experimental value of reaction enthalpy obtained using reaction calorimetry (Mettler-Toledo, RC1). We demonstrate that there are some strategies that can be followed to obtain a good estimation of the reaction enthalpy in order to begin the safety assessment of a chemical reaction. This work is part of an industrial project [1] in which the main objective was the risk assessment of chemical real and complex processes using the commonly available tools for the SMEs (with limited resources).

Manuscript Submission: HERE

  • Impact Factor (2019): 2.731
  • Scimago Journal Rank (2019): 0.415
  • SJR Hirsch-Index (2019): 87
  • SJR Quartile Score (2019): Q3 Condensed Matter Physics
  • SJR Quartile Score (2019): Q3 Physical and Theoretical Chemistry
  • Impact Factor (2018): 2.471
  • Scimago Journal Rank (2018): 0.634
  • SJR Hirsch-Index (2018): 78
  • SJR Quartile Score (2018): Q2 Condensed Matter Physics
  • SJR Quartile Score (2018): Q2 Physical and Theoretical Chemistry

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Journal of Thermal Analysis and Calorimetry
Language English
Size A4
Year of
Foundation
1969
Volumes
per Year
4
Issues
per Year
24
Founder Akadémiai Kiadó
Founder's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher
Chief Executive Officer, Akadémiai Kiadó
ISSN 1388-6150 (Print)
ISSN 1588-2926 (Online)

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