Reaction Kinetics of the Homogeneously Catalyzed Esterification of 1-Butanol with Acetic Acid in a Wide Range of Initial Compositions

2006 ◽  
Vol 45 (6) ◽  
pp. 1869-1874 ◽  
Author(s):  
Sascha Grob ◽  
Hans Hasse
2018 ◽  
Vol 8 (1) ◽  
pp. 29-38 ◽  
Author(s):  
Sulaiman I. Al-Mayman ◽  
Moustafa A. Soliman ◽  
Abdulrahman S. Al-Awadi ◽  
Yousef S. Al-Zeghayer

2018 ◽  
Vol 12 (1) ◽  
pp. 14-23 ◽  
Author(s):  
Anand Mohan Verma ◽  
Nanda Kishore

Object: Excessive amount of oxygen content in unprocessed bio-oil deteriorates the quality of bio-oil which cannot be used in transportation vehicles without upgrading. Acetic acid (CH3COOH) is a vital component of ‘acids’ catalogue of unprocessed bio-oil produced from thermochemical conversions of most of biomass feedstocks such as switchgrass, alfalfa, etc. In this study, the decomposition reactions of acetic acid are carried out by two reaction pathways, i.e., decarboxylation and dehydration reactions. In addition, the reaction rates of decomposition are analysed in a wide range of temperatures, i.e., 298-900 K and at atmospheric pressure. Method: All quantum chemical calculations are performed in the gas phase using two DFT functionals, B3LYP and M06-2X, with 6-31g(d) basis set. The dehydration reaction of acetic acid proceeds directly from ground state structure of acetic acid, whereas, decarboxylation reaction forms an unstable intermediate of acetic acid to initiate the proton migration. Barrier height and kinetics study for both reactions and theories are different and illustrated in the reaction pathway and rate profiles, respectively. Furthermore, both levels of theories offer similar structural configurations but they differ slightly in energetics. Conclusion: The reaction kinetics of both reactions is linearly fitted and the Arrhenius equations corresponding to each decomposition mechanism are generated by fitting the data from line equation.


2013 ◽  
Vol 111 (1) ◽  
pp. 15-27 ◽  
Author(s):  
Xiufeng Lu ◽  
Hengbo Yin ◽  
Lingqin Shen ◽  
Yonghai Feng ◽  
Aili Wang ◽  
...  

2020 ◽  
Vol 52 (8) ◽  
pp. 499-512 ◽  
Author(s):  
Fabiane Hamerski ◽  
Giovana Gonçalves Dusi ◽  
Julia Trancoso Fernandes dos Santos ◽  
Vítor Renan da Silva ◽  
Fernando Augusto Pedersen Voll ◽  
...  

Diabetes ◽  
1991 ◽  
Vol 40 (5) ◽  
pp. 628-632 ◽  
Author(s):  
I. Jensen ◽  
V. Kruse ◽  
U. D. Larsen

2020 ◽  
Author(s):  
Camilo A. Mesa ◽  
Ludmilla Steier ◽  
Benjamin Moss ◽  
Laia Francàs ◽  
James E. Thorne ◽  
...  

<p><i>Operando</i> spectroelectrochemical analysis is used to determine the water oxidation reaction kinetics for hematite photoanodes prepared using four different synthetic procedures. Whilst these photoanodes exhibit very different current / voltage performance, their underlying water oxidation kinetics are found to be almost invariant. Lower photoanode performance was found to correlate with the observation of optical signals indicative of charge accumulation in mid-gap oxygen vacancy states, indicating these states do not contribute directly to water oxidation.</p>


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