Selective hydrogenation of oleic acid to fatty alcohols over a Rh–Sn–B/Al2O3 catalyst: kinetics and optimal reaction conditions

2021 ◽  
Vol 6 (4) ◽  
pp. 726-746
Author(s):  
Cristhian A. Fonseca Benítez ◽  
Vanina A. Mazzieri ◽  
Carlos R. Vera ◽  
Viviana M. Benitez ◽  
Carlos L. Pieck
Keyword(s):  
Experimental Data ◽  
Oleic Acid ◽  
Reaction Mechanism ◽  
Selective Hydrogenation ◽  
Oleyl Alcohol ◽  
Fatty Alcohols ◽  
Reaction Conditions ◽  
Optimal Reaction ◽  
Al2o3 Catalyst

The selective hydrogenation of oleic acid to oleyl alcohol over a Rh(1 wt%)–Sn(4 wt%)–B/Al2O3 catalyst was studied. A comprehensive set of experimental data was used for elucidating the reaction mechanism.

scholarly journals Kinetic Study on Esterification of Ascorbyl Oleate Catalyzed by Lipase NS 88011

2020 ◽  
Vol 11 (1) ◽  
pp. 8374-8388
Keyword(s):  
Experimental Data ◽  
Ascorbic Acid ◽  
Oleic Acid ◽  
Reaction Mechanism ◽  
Vitamin C ◽  
Kinetic Study ◽  
Immobilized Enzyme ◽  
Molar Ratio ◽  
A Value ◽  
Ping Pong

In this study, bisubstrate kinetics mechanism models were correlated with the experimental data of ascorbyl oleate using the new lipase preparation, Candida antarctica NS 88011, and kinetic parameters (Vmax, Km, and Ki) were estimated. The highest conversion (49.42 %) was observed at 1 h of reaction using the ascorbic acid/oleic acid molar ratio of 1:9, 70 ºC and 30 % of enzymatic loading. The Ping Pong Bi-Bi model showed better congruence with the experimental data for all the effects evaluated. The kinetic constants showed that the lipase had an identical affinity, with a value of 0.81 for both substrates and inhibitory constant (Ki) of ascorbic acid (1.959) much higher than oleic acid (0.0008). It has been demonstrated that lipase has good operational stability (14th cycle). The results obtained with the new immobilized enzyme are valuable to elucidate the reaction mechanism. In addition, it represents an important contribution to optimize the reaction and create strategies to increase the productivity of the esters of vitamin C.

Reconciling multiphase reactivity of oleic acid with ozone using a kinetic flux model

2020 ◽  
Author(s):  
Coraline Mattei ◽  
Manabu Shiraiwa ◽  
Ulrich Pöschl ◽  
Thomas Berkemeier
Keyword(s):  
Experimental Data ◽  
Genetic Algorithm ◽  
Monte Carlo ◽  
Oleic Acid ◽  
Reaction Mechanism ◽  
Reactive Oxygen ◽  
Chem Phys ◽  
Data Sets ◽  
Layer Model ◽  
Bulk Chemistry

<p>The ozonolysis of oleic acid on aerosol particles has been extensively studied in the past and is often used as a benchmark reaction for the study of organic particle oxidation. However, to date, no single kinetic model has reconciled the vastly differing reactive uptake coefficients reported in the literature that were obtained at different oxidant concentrations, particle sizes and with various commonly used laboratory setups (single-particle trap, aerosol flow tube, and environmental chamber). We combine the kinetic multi-layer model of aerosol surface and bulk chemistry (KM-SUB, Shiraiwa et al. 2012) with the Monte Carlo Genetic Algorithm (MCGA, Berkemeier et al. 2017) to simultaneously describe nine experimental data sets with a single set of kinetic parameters. The KM-SUB model treats chemistry and mass transport of reactants and products in the gas and particle phases explicitly, based on molecular-level chemical and physical properties. The MCGA algorithm is a global optimization routine that aids in unbiased determination of these model parameters and can be used to assess parameter uncertainty. This methodology enables us to derive information from laboratory experiments using a “big data approach” by accounting for a large amount of data at the same time.</p><p>We show that a simple reaction mechanism including the surface and bulk ozonolysis of oleic acid only allows for the reconciliation of some of the data sets. An accurate description of the entire reaction system can only be accomplished if secondary chemistry is considered and present an extended reaction mechanism including reactive oxygen intermediates. The presence of reactive oxygen species on surfaces of particulate matter might play an important role in understanding aerosol surface phenomena, organic aerosol evolution, and their health effects.</p><p> </p><p>References</p><p>Berkemeier, T. et al.: Technical note: Monte Carlo genetic algorithm (MCGA) for model analysis of multiphase chemical kinetics to determine transport and reaction rate coefficients using multiple experimental data sets, Atmos. Chem. Phys., 17, 8021-8029, 2017.</p><p>Shiraiwa, M., Pfrang, C., and Pöschl, U.: Kinetic multi-layer model of aerosol surface and bulk chemistry (KM-SUB): the influence of interfacial transport and bulk diffusion on the oxidation of oleic acid by ozone, Atmos. Chem. Phys., 10, 3673-3691, 2010.</p>

Selective hydrogenation of oleic acid to fatty alcohols on Rh-Sn-B/Al2O3 catalysts. Influence of Sn content

2019 ◽  
Vol 584 ◽  
pp. 117149 ◽  
Author(s):  
Cristhian A. Fonseca Benítez ◽  
Vanina A. Mazzieri ◽  
María A. Sánchez ◽  
Viviana M. Benitez ◽  
Carlos L. Pieck
Keyword(s):  
Oleic Acid ◽  
Selective Hydrogenation ◽  
Fatty Alcohols

scholarly journals Mechanochemical Friedel–Crafts acylations

2019 ◽  
Vol 15 ◽  
pp. 1313-1320 ◽  
Author(s):  
Mateja Đud ◽  
Anamarija Briš ◽  
Iva Jušinski ◽  
Davor Gracin ◽  
Davor Margetić
Keyword(s):  
Reaction Mechanism ◽  
Aromatic Hydrocarbons ◽  
Ex Situ ◽  
Mechanochemical Reaction ◽  
Reaction Parameters ◽  
Reaction Conditions ◽  
In Situ Raman ◽  
Optimal Reaction ◽  
Acylation Reactions

Friedel–Crafts (FC) acylation reactions were exploited in the preparation of ketone-functionalized aromatics. Environmentally more friendly, solvent-free mechanochemical reaction conditions of this industrially important reaction were developed. Reaction parameters such as FC catalyst, time, ratio of reagents and milling support were studied to establish the optimal reaction conditions. The scope of the reaction was explored by employment of different aromatic hydrocarbons in conjunction with anhydrides and acylation reagents. It was shown that certain FC-reactive aromatics could be effectively functionalized by FC acylations carried out under ball-milling conditions without the presence of a solvent. The reaction mechanism was studied by in situ Raman and ex situ IR spectroscopy.

Novel catalytic system: N-hydroxyphthalimide/hydrotalcite-like compounds catalysing allylic carbonylation of cyclic olefins

2016 ◽  
Vol 70 (7) ◽  
Author(s):  
Yin Zhou ◽  
Rui-Ren Tang ◽  
Dan Song
Keyword(s):  
Catalytic Activity ◽  
Reaction Mechanism ◽  
Catalytic System ◽  
Catalytic Reaction ◽  
Model Reaction ◽  
Reaction Conditions ◽  
Cyclic Olefins ◽  
Tert Butyl Hydroperoxide ◽  
Optimal Reaction ◽  
Catalytic Reaction Mechanism

Abstract-hydroxyphthalimide (NHPI) combined with stable and recoverable transition metal–aluminium binary hydrotalcite-like compounds (M-Al HTLcs, M = Cu, Ni, Co) as an unprecedented catalytic system was demonstrated for the allylic carbonylation, as the model reaction, of cyclic olefins with tert-butyl hydroperoxide (TBHP), using isophorone (IP) to ketoisophorone (KIP). The results showed NHPI combined with Cu-Al HTLcs to be an efficient catalytic system and the influences of various reaction conditions of the catalytic reaction were optimised. A maximum IP conversion of 68.0 % with 81.8 % selectivity to KIP was afforded under the optimal reaction conditions. Experiments of repeatability and restorability showed Cu-Al HTLcs to be stable for at least five cycles without noticeable loss of catalytic activity. Expanding substrates could also be efficiently converted to the corresponding ketones under the optimised reaction conditions with appreciable yields. A plausible catalytic reaction mechanism was proposed.

scholarly journals Kinetic Study of the Selective Hydrogenation of Acetylene over Supported Palladium under Tail-End Conditions

Catalysts ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 180 ◽  
Author(s):  
Caroline Urmès ◽  
Jean-Marc Schweitzer ◽  
Amandine Cabiac ◽  
Yves Schuurman
Keyword(s):  
Selective Hydrogenation ◽  
Active Site ◽  
Reaction Conditions ◽  
Selective Hydrogenation Of Acetylene ◽  
End Conditions ◽  
Supported Palladium ◽  
Α Al2o3 ◽  
Intrinsic Kinetic ◽  
Kinetics Of ◽  
Al2o3 Catalyst

The kinetics of the selective hydrogenation of acetylene in the presence of an excess of ethylene has been studied over a 0.05 wt. % Pd/α-Al2O3 catalyst. The experimental reaction conditions were chosen to operate under intrinsic kinetic conditions, free from heat and mass transfer limitations. The data could be described adequately by a Langmuir–Hinshelwood rate-equation based on a series of sequential hydrogen additions according to the Horiuti–Polanyi mechanism. The mechanism involves a single active site on which both the conversion of acetylene and ethylene take place.

scholarly journals Synthesis, Characterization and Optimization of Oleyl Oleate Wax Ester Using Ionic Liquid Catalysts

2021 ◽  
Vol 21 (3) ◽  
pp. 659
Author(s):  
Naowara Al-Arafi ◽  
Nadia Salih ◽  
Jumat Salimon
Keyword(s):  
Ionic Liquid ◽  
Oleic Acid ◽  
Oleyl Alcohol ◽  
Wax Ester ◽  
Esterification Reaction ◽  
Reaction Conditions ◽  
Brønsted Acidic Ionic Liquid ◽  
Acidic Ionic Liquids ◽  
Percentage Yield ◽  
Oleyl Oleate

In this work, the synthesis of oleyl oleate wax ester using Brønsted acidic ionic liquid catalysts was carried out. Confirmation of oleyl oleate molecular structure has been performed using FTIR, NMR, and ESI-MS spectroscopies. The ability of ionic liquid catalysts for catalyzing the esterification reaction of oleic acid and oleyl alcohol to produce oleyl oleate was optimized. The ionic liquid catalyst ([NMP][CH3SO3]) was found to be the best catalyst for the esterification reaction of oleic acid and oleyl alcohol compared with the other acidic ionic liquids studied. The optimal reaction conditions were determined at a reaction time of 8 h; oleic acid to oleyl alcohol mole ratio of 1:1; ([NMP][CH3SO3]) with 9.9 wt.%; and reaction temperature of 90 °C. Under these conditions, the percentage yield of oleyl oleate wax ester was 86%.

Active learning-based framework for optimal reaction mechanism selection from microkinetic modeling: a case study of electrocatalytic oxygen reduction reaction on carbon nanotubes

2020 ◽  
Vol 22 (8) ◽  
pp. 4581-4591
Author(s):  
Aleksandr A. Kurilovich ◽  
Caleb T. Alexander ◽  
Egor M. Pazhetnov ◽  
Keith J. Stevenson
Keyword(s):  
Experimental Data ◽  
Carbon Nanotubes ◽  
Reaction Mechanism ◽  
Reduction Reaction ◽  
Model Parameters ◽  
Optimal Model ◽  
Parameters Uncertainty ◽  
Electrocatalytic Oxygen Reduction ◽  
Optimal Reaction

Our quantitative framework demonstrates that model parameters uncertainty treatment is crucial to select an optimal model for available experimental data.

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