Multivariate kinetic hard-modelling of spectroscopic data: A comparison of the esterification of butanol by acetic anhydride on different scales and with different instruments

Chemical Engineering Science

Volumn 63, Issue 19, 2008, Pages 4800-4809

  Puxty, Graeme ^a   Neuhold, Yorck Michael ^a   Jecklin, Marc ^a   Ehly, Maryann ^b   Gemperline, Paul ^b   Nordon, Alison ^c   Littlejohn, David ^c   Katy Basford, J ^c   De Cecco, Martin ^c   Hungerbühler, Konrad ^a  

^a ETH ZURICH   (Switzerland)

^b EAST CAROLINA UNIVERSITY   (United States)

^c University of Strathclyde   (United Kingdom)

Author keywords

Butanol esterification; Hard modelling; IR spectroscopy; Kinetics; Multivariate analysis; Optimisation

Indexed keywords

ACETIC ACID; ALCOHOLS; CHEMICAL REACTIONS; DIFFRACTIVE OPTICAL ELEMENTS; ESTERIFICATION; ESTERS; NEWTONIAN FLOW;

1-BUTANOL; ACETIC ANHYDRIDE; BASE CATALYSTS; BUTANOL ESTERIFICATION; BUTYL ACETATE; CHEMICAL SUPPLIERS; CHEMICAL-; COMPARATIVE STUDIES; DIFFERENT SCALES; ECONOMIC EFFICIENCY; ENVIRONMENTAL EFFICIENCY; EXPERIMENTAL DATA; EXPERIMENTAL DESIGN; EXPERIMENTAL EQUIPMENTS; FIRST ORDERS; HARD-MODELLING; IR SPECTROSCOPY; KINETIC DATA; KINETIC MODELLING; KINETICS; MODEL PARAMETERS; MOLECULAR MECHANISMS; MULTIVARIATE ANALYSIS; NEAR-IR; OPTIMISATION; OR CONDITIONS; RATE LAWS; RE-ANALYSIS; RE-CALIBRATION; REACTION DYNAMICS; SOLVENT-FREE; SPECTROSCOPIC DATA; SPECTROSCOPIC SIGNALS; TEMPERATURE RANGES; TIME CONSUMING;

RATE CONSTANTS;

EID: 52149119610     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2008.01.020     Document Type: Article

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