scholarly journals The kinetics of the extraction of caffeine from guarana seed under the action of ultrasonic field with simultaneous cooling

2019 ◽  
Vol 9 (1) ◽  
pp. 26-36 ◽  
Author(s):  
Biljana Koturevic ◽  
Borivoj Adnadjevic ◽  
Jelena Jovanovic
Keyword(s):  
Activation Energy ◽  
Kinetic Parameters ◽  
Reaction System ◽  
Ultrasonic Field ◽  
Conventional Heating ◽  
Isothermal Kinetics ◽  
Correlation Relationship ◽  
Exponential Factor ◽  
Caffeine Extraction ◽  
Kinetics Of

AbstractThe kinetics of isothermal extraction of caffeine from guarana seed under the action of ultrasonic field with simultaneous cooling (UESC) was investigated. The isothermal kinetics curves were measured at temperatures range T = 17-58°C. Using the model-fitting method it was determined that the kinetics of caffeine extraction can be described by a theoretical Jander three-dimensional diffusional model. The values of the rate constant were calculated for different temperatures, as well as the kinetic parameters (activation energy (Ea) and pre-exponential factor (lnA)). Based on the results obtained, it is concluded that the rate constants of caffeine extraction under UESC are about 2 times higher in comparison to the values obtained for the extraction in the conditions of conventional heating (CH). The activation energy of the caffeine extraction under the UESC $\left( E_{\text{a}}\,^{\text{UESC}}=19.4\,\text{kJ}\cdot \text{mo}{{\text{l}}^{-1}} \right)$is lower than the values are for CH $\left( E_{\text{a}}\,^{\text{CH}}=21.8\,\text{kJ}\cdot \text{mo}{{\text{l}}^{-1}} \right).$Energy consumption for UESC is four times lower than for CH conditions. It is shown that there is a linear correlation relationship between kinetic parameters obtained for UESC and CH conditions. The changes in the values of kinetic parameters are explained by the model of selective transfer of energy from the reaction system to the reactant molecules.

scholarly journals Effect of ultrasonic field on isothermal kinetics of fullerene polyhydroxylation

2016 ◽  
Vol 48 (2) ◽  
pp. 259-272 ◽  
Author(s):  
Mihajlo Gigov ◽  
Borivoj Adnadjevic ◽  
Jelena Jovanovic
Keyword(s):  
Activation Energy ◽  
Phase Transfer ◽  
Model Fitting ◽  
Ultrasonic Field ◽  
Conventional Heating ◽  
Isothermal Kinetics ◽  
Ammonium Bromide ◽  
Kinetics Parameters ◽  
Exponential Factor ◽  
Kinetics Of

The isothermal kinetics of fullerene polyhydroxylation under ultrasonic field was investigated. The isothermal kinetic curves of fullerene polyhydroxylation at different temperatures ranging from 293 K to 313 K were determined. By application of the isoconversion method it was established that the reaction of fullerene polyhydroxylation with sodium hydroxide and cetyl trimethyl ammonium bromide as phase transfer catalyst was kinetically an elementary reaction. The model-fitting method confirmed that the kinetics model of first-order chemical reaction best described the kinetics of fullerene polyhydroxylation under ultrasonic field and the kinetics parameters of fullerene polyhydroxylation were determined (Ea,= 29 kJ/mol and lnA=9.4 min-1). It was established that the reaction rate of fullerene polyhydroxylation under ultrasonic field is higher from 1.5 times to 2.2 times than the rate of comparative reaction under the conventional heating. The activation energy is 28% lower than the value of activation energy determined under the conventional heating, whereas the value of pre-exponential factor is 40 times higher. The decreased value of activation energy (Ea,) and pre-exponential factor (lnA) in the ultrasonic field is explained with the increase in the value of ground energy level of the resonant vibration mode (? = 500 cm-1) of C60 molecule (Ag(1) vibrational mode) and toluene molecule (out-of plane bending C-C-C vibration) and with the decreased value of anharmonicity factor.

Thermal Cure and Ceramization Kinetics of Perhydropolysilazane

2013 ◽  
Vol 575-576 ◽  
pp. 81-86 ◽  
Author(s):  
Feng Ling Ma ◽  
Hui Min Qi ◽  
Ya Ping Zhu ◽  
Xiao Wen Ren ◽  
Fan Wang
Keyword(s):  
Activation Energy ◽  
Weight Loss ◽  
Thermogravimetric Analysis ◽  
Kinetic Parameters ◽  
Nitrogen Atmosphere ◽  
Thermal Cure ◽  
Exponential Factor ◽  
Kinetics Of

The kinetics of the thermal cure and ceramization of preceramic prehydropolysilazane (PHPS) was investigated by thermogravimetric analysis (TGA) under nitrogen atmosphere. The results indicated that the gases captured during the thermal cure and ceramization process of PHPS, which had three main weight loss events. The corresponding kinetic parameters including activation energy, pre-exponential factor and empirical order of the thermal cure and ceramization stages were evaluated by using Ozawa and Kissinger metnods, respectively.

Kinetics of Carbothermic Reduction of Ilmenite

2016 ◽  
Vol 852 ◽  
pp. 315-322 ◽  
Author(s):  
Min Chen ◽  
Xuan Xiao ◽  
Xue Feng Zhang
Keyword(s):  
Activation Energy ◽  
Kinetic Parameters ◽  
Carbothermic Reduction ◽  
Reduction Process ◽  
Phase Evolution ◽  
Reduction Kinetics ◽  
Isokinetic Relationship ◽  
Exponential Factor ◽  
Morphology Change ◽  
Kinetics Of

The reduction kinetics of ilmenite was investigated. Phase evolution during the reduction process was identified by XRD and morphology change was observed using SEM. Kinetic parameters of the activation energy and pre-exponential factor were determined by Kissinger-Akahira-Sunose (KAS) method and Coast-Redfern method&artificial isokinetic relationship (IKP) respectively. Results showed that when the reaction of titanium suboxides makes a growing contribution, the conversion dependence of activation energy has an ascending trend. When the conversion exceeded 0.7, the reactants almost consumed, and the process was controlled by diffusion.

scholarly journals The Effect of Methacrylic Acid and Maleic Acid on the Isothermal Kinetics of Acrylic Acid Crosslinking Co-polymerization under Conventional and Microwave Heating

2019 ◽  
Vol 1 (2) ◽  
Author(s):  
Jelena Dragoslav Jovanovic ◽  
Borivoj Adnadjevic
Keyword(s):  
Acrylic Acid ◽  
Kinetic Parameters ◽  
Microwave Heating ◽  
Methacrylic Acid ◽  
Maleic Acid ◽  
Kinetics Model ◽  
Conventional Heating ◽  
Isothermal Kinetics ◽  
Synthesis Process ◽  
Kinetics Of

The kinetics of free-radical crosslinking co-polymerization (FRCCP) of acrylic acid (AA) with both methacrylic acid (MA) (PAMA hydrogel ) and maleic acid (MAL) (PAMAL hydrogel) was investigated under the conditions of isothermal conventional heating (CH) and under the conditions of microwave heating (MWH) with controlled cooling.   The kinetics curves of FRCCP of PAMA and PAMAL hydrogels under the conditions of CH are described with the kinetics model of second order chemical reaction, whereas the kinetics curves under the conditions of CH are described with the kinetics model of Polany-Winger.  It is proved that MWH leads to the changes in the rate of  FRCCP and to the changes in the values of the kinetic parameters (activation energy (Ea) and pre-exponential factor (lnA).  It was found the existence of relationship between the values of the kinetic parameters calculated for MWH and CH for PAMA and PAMAL hydrogel synthesis process, which is well-known as compensation effect. The effect of MWH on the kinetics of FRCCP for PAMA and PAMAL hydrogel formation were explained by applying the model of activation by selective energy transfer (SET). The changes in kinetics model, rate of FRCCP and kinetics parameters, caused with the MWH can found wide application in designing novel technologies for obtaining polymers and for synthesis of polymers with  novel physico-chemical properties.  The suggested mechanism of activation for polymerisation under the conditions of MWH also enables development of novel reaction systems and technologies for polymers productions. 

scholarly journals Comparative Kinetic Analysis of CaCO3/CaO Reaction System for Energy Storage and Carbon Capture

2019 ◽  
Vol 9 (21) ◽  
pp. 4601 ◽  
Author(s):  
Fedunik-Hofman ◽  
Bayon ◽  
Donne
Keyword(s):  
Activation Energy ◽  
Energy Storage ◽  
Kinetic Analysis ◽  
Kinetic Parameters ◽  
Carbon Capture ◽  
Model Fitting ◽  
Reaction System ◽  
Reaction Model ◽  
Activation Energies ◽  
Exponential Factor

The calcium carbonate looping cycle is an important reaction system for processes such as thermochemical energy storage and carbon capture technologies, which can be used to lower greenhouse gas emissions associated with the energy industry. Kinetic analysis of the reactions involved (calcination and carbonation) can be used to determine kinetic parameters (activation energy, pre-exponential factor, and the reaction model), which is useful to translate laboratory-scale studies to large-scale reactor conditions. A variety of methods are available and there is a lack of consensus on the kinetic parameters in published literature. In this paper, the calcination of synthesized CaCO3 is modeled using model-fitting methods under two different experimental atmospheres, including 100% CO2, which realistically reflects reactor conditions and is relatively unstudied kinetically. Results are compared with similar studies and model-free methods using a detailed, comparative methodology that has not been carried out previously. Under N2, an activation energy of 204 kJ mol-1 is obtained with the R2 (contracting area) geometric model, which is consistent with various model-fitting and isoconversional analyses. For experiments under CO2, much higher activation energies (up to 1220 kJ mol-1 with a first-order reaction model) are obtained, which has also been observed previously. The carbonation of synthesized CaO is modeled using an intrinsic chemical reaction rate model and an apparent model. Activation energies of 17.45 kJ mol-1 and 59.95 kJ mol-1 are obtained for the kinetic and diffusion control regions, respectively, which are on the lower bounds of literature results. The experimental conditions, material properties, and the kinetic method are found to strongly influence the kinetic parameters, and recommendations are provided for the analysis of both reactions.

scholarly journals Kinetics of the Release of Nicotinamide Absorbed on Partially Neutralized Poly(acrylic-co-methacrylic acid) Xerogel under the Conditions of Simultaneous Microwave Heating and Cooling

Gels ◽  
2021 ◽  
Vol 7 (4) ◽  
pp. 193
Author(s):  
Jelena D. Jovanovic ◽  
Borivoj K. Adnadjevic
Keyword(s):  
Kinetic Parameters ◽  
Microwave Heating ◽  
Model Fitting ◽  
Reaction System ◽  
Release Process ◽  
Exponential Factor ◽  
Heating And Cooling ◽  
Different Temperatures ◽  
First Order Chemical Reaction ◽  
Kinetics Of

The kinetics of release of nicotinamide (NIAM) that was absorbed on partially neutralized poly(acrylic-co-methacrylic) (PAM) xerogel/hydrogel, under the conditions of simultaneous microwave heating and cooling (SMHC) were examined. The kinetics curves of NIAM release into an aqueous solution at temperatures of 308–323 K were recorded. By applying the model-fitting method (MFM), it was found that the kinetics of NIAM release can be modeled by a kinetic model of a first-order chemical reaction. The values of the release rate constants (kM) at different temperatures were calculated, and their values were found to be within the range 8.4 10−3 s −1−15.7 10−3 s−1. It has been established that the Arrhenius equation was valid even in the conditions of SMHC. The values of the kinetic parameters (activation energy (Ea) and pre-exponential factor (A) of the NIAM release process adsorbed on PAM xerogel/hydrogel were calculated as follows: Ea = 25.6 kJ/mol and ln (A/s−1) = 5.21. It has been proven that the higher value of the rate constant at SMHC in relation to CH is not a consequence of the overheating of the reaction system or the appearance of “hot-points”. The values of change of the enthalpy of activation (ΔH*) and the change of entropy of activation (ΔS*) were calculated as follows: ΔH* = +23.82 kJ/mol and ΔS* = −201.4 J/mol K. The calculated higher values of the kinetic parameters and thermodynamic parameters of activation are explained by the formation of a specific activated complex under SMHC, whose structure and degree of order are different than in the one formed under CH.

Mechanisms and kinetics of initial pyrolysis and combustion reactions of 1,1-diamino-2,2-dinitroethylene from density functional tight-binding molecular dynamics simulations

2019 ◽  
Vol 97 (11) ◽  
pp. 795-804 ◽  
Author(s):  
Dong Xiang ◽  
Weihua Zhu
Keyword(s):  
Activation Energy ◽  
Molecular Dynamics ◽  
Density Functional ◽  
Tight Binding ◽  
Combustion Process ◽  
Exponential Factor ◽  
Three Stages ◽  
Dynamics Simulations ◽  
Combustion Processes ◽  
Kinetics Of

The density functional tight-binding molecular dynamics approach was used to study the mechanisms and kinetics of initial pyrolysis and combustion reactions of isolated and multi-molecular FOX-7. Based on the thermal cleavage of bridge bonds, the pyrolysis process of FOX-7 can be divided into three stages. However, the combustion process can be divided into five decomposition stages, which is much more complex than the pyrolysis reactions. The vibrations in the mean temperature contain nodes signifying the formation of new products and thereby the transitions between the various stages in the pyrolysis and combustion processes. Activation energy and pre-exponential factor for the pyrolysis and combustion reactions of FOX-7 were obtained from the kinetic analysis. It is found that the activation energy of its pyrolysis and combustion reactions are very low, making both take place fast. Our simulations provide the first atomic-level look at the full dynamics of the complicated pyrolysis and combustion process of FOX-7.

Kinetics and Activation Parameters for the Alkaline Aqueous Rearrangement of Trichorfon [O,O-Dimethyl-(2,2,2-Trichloro-1-Hydroxyethyl) Phosphonate] to Dichlorvos [O,O-Dimethyl-O-(2,2-Dichloroethenyl)Phosphate]

2001 ◽  
Vol 36 (3) ◽  
pp. 589-604 ◽  
Author(s):  
Julian M. Dust ◽  
Christopher S. Warren
Keyword(s):  
Activation Energy ◽  
High Pressure ◽  
Activation Parameters ◽  
Base Catalysis ◽  
Rearrangement Product ◽  
Exponential Factor ◽  
First Order ◽  
Pseudo First Order ◽  
Order Plot ◽  
Kinetics Of

Abstract The kinetics of the alkaline rearrangement of O,O-dimethyl-(2,2,2-trichloro-1- hydroxyethyl)phosphonate, (trichlorfon, 1), the active insecticidal component in such formulations as Dylox, was followed at 25±0.5°C by high pressure liquid chromatography (UV-vis detector, 210 nm). The rearrangement product, O,Odimethyl- O-(2,2-dichloroethenyl)phosphate (dichlorovos, 2), which is a more potent biocide than trichlorfon, undergoes further reaction, and the kinetics, consequently, cannot be treated by a standard pseudo-first-order plot. A two-point van't Hoff (initial rates) method was used to obtain pseudo-first-order rate constants (kѱ) at 25, 35 and 45°C: 2.6 × 10-6, 7.4 × 10-6 and 2.5 × 10-5 s-1, respectively. Arrhenius treatment of this data gave an activation energy (Ea) of 88 kJ·mol-1 with a pre-exponential factor (A) of 5.5 × 109 s-1. Kinetic trials at pH 8.0 using phosphate and tris buffer systems show no buffer catalysis in this reaction and indicate that the rearrangement is subject to specific base catalysis. Estimates are reported for pseudo-first-order half-lives for trichlorfon at pH 8.0 for environmental conditions in aqueous systems in the Corner Brook region of western Newfoundland, part of the site of a recent trichlorfon aerial spray program.

Study on Curing Kinetics of MEP-15/593/660 System

2014 ◽  
Vol 988 ◽  
pp. 31-35
Author(s):  
Jia Le Song ◽  
Chan Chan Li ◽  
Zhi Mi Zhou ◽  
Chao Qiang Ye ◽  
Wei Guang Li
Keyword(s):  
Activation Energy ◽  
Differential Scanning Calorimetry ◽  
Kinetic Parameters ◽  
Curing Kinetics ◽  
Conversion Ratio ◽  
Scanning Calorimetry ◽  
Degree Of Cure ◽  
Curing Kinetic ◽  
The Relationship ◽  
Kinetics Of

Curing kinetics of MEP-15/593 system and MEP-15/593/660 system is studied by means of differential scanning calorimetry (DSC). Curing kinetic parameters are evaluated and the relationship between diluent 660 and the curing properties is investigated. The results show that the diluent 660 can not only reduce viscosity and activation energy, but also improve the degree of cure and conversion ratio.

Research on Pyrolysis Kinetics of Shenhua Coal and Direct Liquefaction Residue

2012 ◽  
Vol 550-553 ◽  
pp. 2758-2762 ◽  
Author(s):  
Xi Jie Chu ◽  
Yong Gang Wang ◽  
Li Hong Zhao
Keyword(s):  
Experimental Data ◽  
Activation Energy ◽  
Kinetic Parameters ◽  
Heating Rate ◽  
Coal Pyrolysis ◽  
Pyrolysis Kinetics ◽  
Differential Heating ◽  
Pyrolysis Behavior ◽  
Direct Liquefaction ◽  
Kinetics Of

The pyrolysis tests of Shenhua coal and Shenhua direct liquefaction residue have been carried out using thermogravimetric at the differential heating rate. The kinetic parameters k and E were calculated using DAEM method. Results show DAME model can describe the pyrolysis behavior of Shenhua coal within the range of 20% to 95%, the activation energy of coal pyrolysis ranges from 53.98 to 279.38 kJ/mol, and DAME model can describe the behavior of Shenhua direct liquefaction residue within the range of 10% to 80%, the activation energy of residue pyrolysis is about 170 kJ/mol. The results of which are basically consistent with the experimental data.

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