A single-step protocol for closing experimental atom balances.

ABSTRACT: Molar balances are considered to be closed if they are within 95-105%. It was shown in the companion paper "https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805-811 (2019)" that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called 'CLOBAL', after 'closing the balances', are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code. Key benefits of proposed procedure CLOBAL script are: •Physical quantities such as molar flow rates, concentrations or absolute

SUBMITTER: Heynderickx PM 

PROVIDER: S-EPMC6993001 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature