scholarly journals Utilization of MATLAB to Simulate Kinetics of Transesterification of Palm Oil-Based Methyl Esters with Trimethylolpropane for Biodegradable Synthetic Lubricant Synthesis

Author(s):  
Hamidah Abd Hamid ◽  
Robiah Yunus ◽  
Thomas S.Y. Choong

This paper presents the simulation work on kinetic study for the transesterification reaction between palm oil-based methyl ester with trimethylolpropane to produce biodegradable lubricant base oil. The reaction mechanism involves three stepwise reversible series-parallel elementary reactions. New kinetic modeling approach is needed in this field due to the limitation of the earlier kinetic models developed for this reaction. The earlier kinetic study made use of many assumptions in order to simplify the solutions. In this work, new rate equations were derived from the actual reaction mechanism, and MATLAB was used to obtain the simultaneous solutions of the rate equations. The results obtained were compared with the experimental data used in the earlier study. The new simulation approach was found to describe the experimental values satisfactorily.

1973 ◽  
Vol 131 (2) ◽  
pp. 223-236 ◽  
Author(s):  
S. Ainsworth ◽  
N. Macfarlane

The paper reports a study of the kinetics of the reaction between phosphoenolpyruvate, ADP and Mg2+ catalysed by rabbit muscle pyruvate kinase. The experimental results indicate that the reaction mechanism is equilibrium random-order in type, that the substrates and products are phosphoenolpyruvate, ADP, Mg2+, pyruvate and MgATP, and that dead-end complexes, between pyruvate, ADP and Mg2+, form randomly and exist in equilibrium with themselves and other substrate complexes. Values were determined for the Michaelis, dissociation and inhibition constants of the reaction and are compared with values ascertained by previous workers.


2009 ◽  
Vol 9 (2) ◽  
pp. 88
Author(s):  
Jesús Alfonso Torres Ortega ◽  
Luis Alejandro Díaz Aldana ◽  
Francisco José Sánchez Castellanos

<strong><strong></strong></strong>Los ésteres metílicos como alternativa oleoquímica permiten sintetizar compuestos para la fabricación de detergentes, polímeros, recubrimientos, cosméticos, pinturas y otras sustancias. Así, la transformación del aceite de palma se establece como una cadena productiva con múltiples aplicaciones industriales. Las propiedades biológicas del éster metílico sulfonado, derivado del aceite de palma, permiten desarrollar detergentes de baja toxicidad al medio ambiente, son una fuente renovable de materia prima, y con su desarrollo se explota este recurso nacional; se generan así conocimiento y fuentes adicionales de trabajo. La sulfonación de ésteres metílicos es una reacción altamente exotérmica en la que la velocidad de reacción determina la carga térmica que debe disipar el reactor, y por tanto es trascendental para el diseño del reactor de sulfonación y su modelamiento matemático. Mediante técnicas instrumentales se estableció una expresión cinética para la velocidad de reacción. Los ensayos realizados en el laboratorio permitieron la deducción de una cinética de segundo orden para el mecanismo de reacción propuesto; esta velocidad de reacción describe adecuadamente la sulfonación con SO3 de ésteres metílicos derivados de la estearina hidrogenada de palma. Se verificó la cinética de segundo orden de la reacción global del proceso de sulfonación de ésteres metílicos con SO3. <p class="Corpoica"><strong>Kinetic study of methyl esters sulfonation derived from palm stearin </strong></p><p class="Corpoica">The methyl esters as an alternative to oil-chemical compounds, is an feedstock to manufacture of detergents, polymers, coatings, cosmetics, paints and other substances, establishing them the palm oil transformation like a productive chain with multiple applications at the industry level. Biological properties of biodiesel (methyl ester) sulfonated allow to develop low toxicity detergents to the environment, they are a renewable source of raw material, and with its development it is possible to take advantage of a national sources of knowledge and employment. Methyl esters sulfonation is a reaction highly exothermic, where reaction velocity determines the charge of heat, which should be dissipated by reactor. Therefore, it is important for sulfonation reactor design and its mathematical modelling. In this investigation, a kinetic study for methyl ester from palm oil stearin with sulfur trioxide SO3 sulfonation is presented, whereby with experimental techniques, it was possible to obtain a kinetic expression for reaction velocity. Tests in the laboratory allowed the deduction of a second-order kinetics for the reaction mechanism proposed, the reaction rate described adequately with SO3 sulfonation of methyl esters derived from hydrogenated palm stearin. It was observed second order kinetics of the reaction for the overall process of sulfonation with SO3 methyl esters. </p>


1969 ◽  
Vol 47 (9) ◽  
pp. 889-894 ◽  
Author(s):  
Arthur R. Schulz ◽  
Donald D. Fisher

A computer-based method for the derivation of rate equations of enzyme-catalyzed reactions under steady-state assumptions is presented. This method is based on the description of the reaction mechanism in terms of a connection matrix. The utility of the method is demonstrated by applying it to complete the derivation of rate equations of multireactant enzymic mechanisms with modifiers as discussed by Henderson.


1987 ◽  
Vol 52 (7) ◽  
pp. 1758-1763 ◽  
Author(s):  
Li Gwang Hun ◽  
Lubomír Nondek

Kinetics of the addition of tetrachloromethane to styrene catalyzed by copper-amine complexes was studied. The pseudo-first order kinetics in respect to styrene and the catalyst was observed at an excess of tetrachloromethane. The reaction mechanism involving a catalytic cycle compatible with the kinetic observations is proposed. The experimental activation energy, being about 104 kJ mol-1, indicates a catalytic mechanism.


Author(s):  
Philippe Dagaut ◽  
Sandro Gai¨l

The oxidation of kerosene and bio-kerosene (kerosene-rapeseed oil methyl esters 80/20 in mole) was studied experimentally in a jet-stirred reactor at 10 atm and constant residence time, over the high temperature range 740-1200 K, and for variable equivalence ratios in the range 0.5–1.5. Concentration profiles of reactants, stable intermediates, and final products were obtained by probe sampling followed by on-line and off-line GC analyses. The oxidation of these fuels in these conditions was modeled using a detailed kinetic reaction mechanism consisting of 2027 reversible reactions and 263 species. The surrogate bio-kerosene model-fuel used consisted of a mixture of n-hexadecane, n-propylcyclohexane, n-propylbenzene, and n-decane. For bio-kerosene, the methyl ester fraction was simply represented by n-hexadecane. The proposed kinetic reaction mechanism used in the modeling yielded a good representation of the kinetics of oxidation of kerosene and bio-kerosene under JSR conditions. The data and the model showed the bio-kerosene (Jet A-1/RME mixture) has a slightly higher reactivity than Jet A-1 whereas not major modification of the products distribution was observed besides the formation of small methyl esters from RME’s oxidation.


1972 ◽  
Vol 129 (5) ◽  
pp. 1035-1047 ◽  
Author(s):  
Neil Macfarlane ◽  
Stanley Ainsworth

The paper reports a study of the kinetics of the reaction between phosphoenolpyruvate, ADP and Mg2+catalysed by yeast pyruvate kinase when activated by fructose 1,6-diphosphate and K+. The experimental results indicate that the reaction mechanism is of the Ordered Tri Bi type with the substrates binding in the order phosphoenolpyruvate, ADP and Mg2+. Direct phosphoryl transfer takes place in the quaternary complex, with pyruvate released before MgATP. A dead-end enzyme–pyruvate complex is also indicated. Values have been determined for the Michaelis, dissociation and inhibition constants of the reaction. Several of the rate constants involved have also been evaluated.


2001 ◽  
Vol 2001 (5) ◽  
pp. 182-184 ◽  
Author(s):  
Kunj Behari ◽  
Roli Srivastava ◽  
Veena

The kinetics of Ru(VI) catalysed oxidation of 1,5 pentane diol; 1,6-hexane-diol, 1-pentanol and 1-hexanol by hexacyanoferrate (III) ion in an aqueous alkaline medium at constant ionic strength shows zero order dependence on hexacyanoferrate (III) and first order dependence on Ru(VI) and substrate. The result suggest that a complex is formed between Ru(VI) and diol, which slowly decomposes to give a reduced form of ruthenium, which is reoxidised to Ru(VI) in a fast step be alkaline hexacyanoferrate(III). A plausible reaction mechanism is proposed.


Clean Air ◽  
2007 ◽  
Vol 8 (1) ◽  
pp. 65-79 ◽  
Author(s):  
Farouq Twaiq ◽  
Abdul Rahman Mohamed ◽  
Subhash Bhatia

2019 ◽  
Vol 10 (1) ◽  
pp. 48-56
Author(s):  
Caroline C.A. Magalhães ◽  
Julia A. Romão ◽  
Geiza S. Araújo ◽  
Diego T. Santos ◽  
Giovani B.M. De Carvalho

Background: The use of nutritional supplementation of the brewer&#039;s wort can be an interesting option to increase cell viability and yeast fermentability. </P><P> Objective: This study aims to evaluate the effects of the variables wort concentration and nutritional supplementation with palm oil in the production of beer in high-density wort. </P><P> Methods: The process effects were evaluated through the central composite rotational design of type 22 associated with the Response Surface Methodology (RSM). The fermentations were carried out using the commercial Saccharomyces cerevisiae yeast, lager type, at 15&#176;C. </P><P> Results: The mathematical models and RSM obtained were an efficienct strategy to determine the optimum fermentation point for the ethanol volumetric productivity (wort concentration of 20.90 &#176;P and palm oil content of 0.19 % v/v) and for the apparent degree of fermentation (wort concentration of 16.90 &#176;P and palm oil content of 0.22% v/v). There was a good correlation between the experimental values observed and predicted by the model, indicating that the fit of the model was satisfactory and it can be inferred that the increase of the wort concentration and the nutritional supplementation with the palm oil reached an ethanol volumetric productivity of 0.55 g/L.h and an apparent degree of fermentation of 50.20 %. </P><P> Conclusion: Therefore, it can be concluded that our study demonstrates that nutritional supplementation with palm oil is an alternative and promising option for the breweries to increase productivity. There are recent patents also suggesting the advantages of using alternative nutritional supplements in beverage production.


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