A Study of the Vulcanization Kinetics of an Accelerated-Sulfur SBR Compound

1996 ◽  
Vol 69 (1) ◽  
pp. 81-91 ◽  
Author(s):  
R. Ding ◽  
A. I. Leonov ◽  
A. Y. Coran
Keyword(s):  
Realistic Model ◽  
Reaction Scheme ◽  
Kinetic Approach ◽  
Model Parameters ◽  
Reactive Processing ◽  
Reaction Heat ◽  
Model Calculations ◽  
Equilibrium Modulus ◽  
Vulcanization Kinetics ◽  
Kinetics Of

Abstract Vulcanization kinetics for a SBR compound was studied by using both curemeter and DSC methods by a kinetic approach. A simplified but realistic model reaction scheme was used to simulate both induction and curing periods simultaneously. Model parameters were extracted from isothermal curemeter experiments. The model prediction demonstrated a good agreement with isothermal curemeter data over a temperature range of 120°C to 180°C. The variation of equilibrium modulus with temperature, observed from cure curves, can also be predicted. However, DSC experiments showed a different reaction behavior in the curing period as compared to model calculations. This was explained by the assumption that the reaction heat observed in DSC is due to all possible exothermal reactions, and the formation of crosslinks is only a part of these reactions. Hence, the curemeter can provide a good indication of crosslink formation, while DSC displays the entire reaction heat released during the vulcanization process. The kinetic approach allows one to incorporate vulcanization kinetics into the practical simulation of reactive processing operations.

The mechanism of the anionic coordination polymerization of isoprene

1980 ◽  
Vol 45 (9) ◽  
pp. 2391-2399 ◽  
Author(s):  
Miroslav Kašpar ◽  
Jiří Trekoval
Keyword(s):  
Chromatographic Method ◽  
Initial Period ◽  
Reaction Scheme ◽  
Polymerization Kinetics ◽  
Coordination Polymerization ◽  
Initial Concentration ◽  
The Cross ◽  
Gas Chromatographic Method ◽  
Kinetics Of

The polymerization kinetics of isoprene (2-methyl-1,3-butadiene) in benzene with butyllithium as the initiator was investigated by the gas chromatographic method. After completion of the initial period of the reaction, its order with respect to the initial concentration of initiator is negative at the concentrations of the latter between 0.01 and 0.25 mol/l, and positive at higher concentrations. A reaction scheme has been suggested with respect to the "cross" association of butyllithium and of the "living" oligoisoprene.

The effect of electrondonors on the polymerization kinetics of isoprene

1980 ◽  
Vol 45 (12) ◽  
pp. 3338-3346
Author(s):  
Miroslav Kašpar ◽  
Jiří Trekoval
Keyword(s):  
Induction Period ◽  
Ethyl Ether ◽  
Reaction Order ◽  
Propagation Rate ◽  
Reaction Scheme ◽  
Polymerization Kinetics ◽  
Polymerization Rate ◽  
Constant Concentration ◽  
Initial Concentration ◽  
Kinetics Of

The effect of small additions of 1-octene, butyl ethyl ether and triethylamine on the polymerization kinetics of isoprene (2-methyl-1,3-butadiene) in benzene initiated with butyllithium was investigated by employing the GLC analysis. The addition of 1-octane was reflected only in a shorter induction period of the reaction; the effect on the propagation rate was insignificant. With the increasing amount of butyl ethyl ether, the polymerization rate increases linearly, while the reaction order with respect to the concentration of triethylamine is variable and increases from 0.33 to 0.66 with the increasing concentration of the initiator. For a constant concentration of triethylamine, the reaction order with respect to the initial concentration of the initiator was found to vary considerably, reaching even negative values. A reaction scheme was suggested, taking into account the competition between two different solvates of alkyllithium.

Kinetics of temperature-programmed reactivation of a hydrodesulphurization catalyst

1983 ◽  
Vol 48 (12) ◽  
pp. 3340-3355 ◽  
Author(s):  
Pavel Fott ◽  
Pavel Šebesta
Keyword(s):  
Carbon Dioxide ◽  
Thermal Analysis ◽  
Differential Thermal Analysis ◽  
Thin Layer ◽  
Kinetic Parameters ◽  
Diffusion Region ◽  
Reaction Heat ◽  
Gaseous Products ◽  
Temperature Programmed ◽  
Kinetics Of

The kinetic parameters of reactivation of a carbonized hydrodesulphurization (HDS) catalyst by air were evaluated from combined thermogravimetric (TG) and differential thermal analysis (DTA) data. In addition, the gaseous products leaving a temperature-programmed reactor with a thin layer of catalyst were analyzed chromatographically. Two exothermic processes were found to take part in the reactivation, and their kinetics were described by 1st order equations. In the first process (180-400 °C), sulphur in Co and Mo sulphides is oxidized to sulphur dioxide; in the second process (300-540 °C), in which the essential portion of heat is produced, the deposited carbon is oxidized to give predominantly carbon dioxide. If the reaction heat is not removed efficiently enough, ignition of the catalyst takes place, which is associated with a transition to the diffusion region. The application of the obtained kinetic parameters to modelling a temperature-programmed reactivation is illustrated on the case of a single particle.

scholarly journals Isothermal Vulcanization and Non-Isothermal Degradation Kinetics of XNBR/Epoxy/XNBR-g-Halloysite Nanotubes (HNT) Nanocomposites

Materials ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 2872
Author(s):  
Seyed Mohamad Reza Paran ◽  
Ghasem Naderi ◽  
Elnaz Movahedifar ◽  
Maryam Jouyandeh ◽  
Krzysztof Formela ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Degradation Kinetics ◽  
Halloysite Nanotubes ◽  
Butadiene Rubber ◽  
Order Model ◽  
Scanning Calorimetry ◽  
Theoretical Methods ◽  
Vulcanization Kinetics ◽  
Kinetics Of ◽  
Thermal Stability Of

The effect of several concentrations of carboxylated nitrile butadiene rubber (XNBR) functionalized halloysite nanotubes (XHNTs) on the vulcanization and degradation kinetics of XNBR/epoxy compounds were evaluated using experimental and theoretical methods. The isothermal vulcanization kinetics were studied at various temperatures by rheometry and differential scanning calorimetry (DSC). The results obtained indicated that the nth order model could not accurately predict the curing performance. However, the autocatalytic approach can be used to estimate the vulcanization reaction mechanism of XNBR/epoxy/XHNTs nanocomposites. The kinetic parameters related to the degradation of XNBR/epoxy/XHNTs nanocomposites were also assessed using thermogravimetric analysis (TGA). TGA measurements suggested that the grafted nanotubes strongly enhanced the thermal stability of the nanocomposite.

scholarly journals A LOW-BIAS SIMULATION SCHEME FOR THE SABR STOCHASTIC VOLATILITY MODEL

2012 ◽  
Vol 15 (02) ◽  
pp. 1250016 ◽  
Author(s):  
BIN CHEN ◽  
CORNELIS W. OOSTERLEE ◽  
HANS VAN DER WEIDE
Keyword(s):  
Stochastic Volatility ◽  
Asset Price ◽  
Realistic Model ◽  
Stochastic Volatility Model ◽  
Model Parameters ◽  
Fixed Income ◽  
Financial Industry ◽  
Volatility Model ◽  
Discretization Schemes ◽  
Simulation Scheme

The Stochastic Alpha Beta Rho Stochastic Volatility (SABR-SV) model is widely used in the financial industry for the pricing of fixed income instruments. In this paper we develop a low-bias simulation scheme for the SABR-SV model, which deals efficiently with (undesired) possible negative values in the asset price process, the martingale property of the discrete scheme and the discretization bias of commonly used Euler discretization schemes. The proposed algorithm is based the analytic properties of the governing distribution. Experiments with realistic model parameters show that this scheme is robust for interest rate valuation.

Vulcanization kinetics of natural rubber-organoclay nanocomposites

2003 ◽  
Vol 89 (1) ◽  
pp. 1-15 ◽  
Author(s):  
M. A. López-Manchado ◽  
M. Arroyo ◽  
B. Herrero ◽  
J. Biagiotti
Keyword(s):  
Natural Rubber ◽  
Vulcanization Kinetics ◽  
Kinetics Of

scholarly journals On the Importance of Atomic Fluctuations, Protein Flexibility, and Solvent in Ion Permeation

2004 ◽  
Vol 124 (6) ◽  
pp. 679-690 ◽  
Author(s):  
Toby W. Allen ◽  
O.S. Andersen ◽  
Benoit Roux
Keyword(s):  
Ion Channel ◽  
Protein Function ◽  
Channel Model ◽  
Protein Structures ◽  
Thermal Fluctuations ◽  
Model Parameters ◽  
Ion Permeation ◽  
Model Calculations ◽  
Channel Interactions ◽  
Solvent Molecules

Proteins, including ion channels, often are described in terms of some average structure and pictured as rigid entities immersed in a featureless solvent continuum. This simplified view, which provides for a convenient representation of the protein's overall structure, incurs the risk of deemphasizing important features underlying protein function, such as thermal fluctuations in the atom positions and the discreteness of the solvent molecules. These factors become particularly important in the case of ion movement through narrow pores, where the magnitude of the thermal fluctuations may be comparable to the ion pore atom separations, such that the strength of the ion channel interactions may vary dramatically as a function of the instantaneous configuration of the ion and the surrounding protein and pore water. Descriptions of ion permeation through narrow pores, which employ static protein structures and a macroscopic continuum dielectric solvent, thus face fundamental difficulties. We illustrate this using simple model calculations based on the gramicidin A and KcsA potassium channels, which show that thermal atomic fluctuations lead to energy profiles that vary by tens of kcal/mol. Consequently, within the framework of a rigid pore model, ion-channel energetics is extremely sensitive to the choice of experimental structure and how the space-dependent dielectric constant is assigned. Given these observations, the significance of any description based on a rigid structure appears limited. Creating a conducting channel model from one single structure requires substantial and arbitrary engineering of the model parameters, making it difficult for such approaches to contribute to our understanding of ion permeation at a microscopic level.

scholarly journals A Moist Quasi-Geostrophic Coupled Model: MQ-GCM2.0

2021 ◽  
Author(s):  
Sergey Kravtsov ◽  
Ilijana Mastilovic ◽  
Andrew McC. Hogg ◽  
William Dewar ◽  
Jeffrey Blundell
Keyword(s):  
Mixed Layer ◽  
Decadal Variability ◽  
Coupled Model ◽  
Realistic Model ◽  
Model Parameters ◽  
Wind Component ◽  
Apparent Lack ◽  
Ocean Atmosphere ◽  
Atmospheric Mixed Layer ◽  
New Formulation

Abstract. This paper contains a description of recent changes to the formulation and numerical implementation of the Quasi-Geostrophic Coupled Model (Q-GCM), which constitute a major update of the previous version of the model (Hogg et al., 2014). The Q-GCM model has been designed to provide an efficient numerical tool to study the dynamics of multi-scale mid-latitude air–sea interactions and their climatic impacts. The present additions/alterations were motivated by an inquiry into the dynamics of mesoscale ocean–atmosphere coupling and, in particular, by an apparent lack of Q-GCM atmosphere’s sensitivity to mesoscale sea-surface temperature (SST) anomalies, even at high (mesoscale) atmospheric resolutions, contrary to ample theoretical and observational evidence otherwise. Major modifications aimed at alleviating this problem include an improved radiative-convective scheme resulting in a more realistic model mean state and associated model parameters, a new formulation of entrainment in the atmosphere, which prompts more efficient communication between the atmospheric mixed layer and free troposphere, as well as an addition of temperature-dependent wind component in the atmospheric mixed layer and the resulting mesoscale feedbacks. The most drastic change is, however, the inclusion of moist dynamics in the model, which may be key to midlatitude ocean–atmosphere coupling. Accordingly, this version of the model is to be referred to as the MQ-GCM model. Overall, the MQ-GCM model is shown to exhibit a rich spectrum of behaviours reminiscent of many of the observed properties of the Earth’s climate system. It remains to be seen whether the added processes are able to affect in fundamental ways the simulated dynamics of the mid-latitude ocean–atmosphere system’s coupled decadal variability.

scholarly journals Modeling of the adsorption kinetics of zinc onto granular activated carbon and natural zeolite

2006 ◽  
Vol 71 (8-9) ◽  
pp. 957-967 ◽  
Author(s):  
Ljiljana Markovska ◽  
Vera Meshko ◽  
Mirko Marinkovski
Keyword(s):  
Mass Transfer ◽  
Activated Carbon ◽  
Simulation Study ◽  
Natural Zeolite ◽  
Granular Activated Carbon ◽  
Model Parameters ◽  
Mass Transfer Resistance ◽  
External Mass Transfer ◽  
Transfer Resistance ◽  
Kinetics Of

The isotherms and kinetics of zinc adsorption from aqueous solution onto granular activated carbon (GAC) and natural zeolite were studied using an agitated batch adsorber. The maximum adsorption capacities of GAC and natural zeolite towards zinc(II) from Langmuir adsorption isotherms were determined using experimental adsorption equilibrium data. The homogeneous solid diffusion model (HSD-model) combined with external mass transfer resistance was applied to fit the experimental kinetic data. The kinetics simulation study was performed using a computer program based on the proposed mathematical model and developed using gPROMS. As the two-mass transfer resistance approach was applied, two model parameters were fitted during the simulation study. External mass transfer and solid phase diffusion coefficients were obtained to predict the kinetic curves for varying initial Zn(II) concentration at constant agitation speed and constant adsorbent mass. For any particular Zn(II) - adsorbent system, k f was constant, except for the lowest initial concentration, while D s was found to increase with increasing initial Zn(II) concentration.

scholarly journals Deep search for hydrogen peroxide toward pre- and protostellar objects

2020 ◽  
Vol 636 ◽  
pp. A114
Author(s):  
G. W. Fuchs ◽  
D. Witsch ◽  
D. Herberth ◽  
M. Kempkes ◽  
B. Stanclik ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Solid State ◽  
Water Reservoir ◽  
Reaction Network ◽  
Reaction Scheme ◽  
Young Stellar Objects ◽  
Model Parameters ◽  
Stellar Objects ◽  
Additional Information ◽  
Water Formation

Context. In the laboratory, hydrogen peroxide (HOOH) was proven to be an intermediate product in the solid-state reaction scheme that leads to the formation of water on icy dust grains. When HOOH desorbs from the icy grains, it can be detected in the gas phase. In combination with water detections, it may provide additional information on the water reaction network. Hydrogen peroxide has previously been found toward ρ Oph A. However, further searches for this molecule in other sources failed. Hydrogen peroxide plays a fundamental role in the understanding of solid-state water formation and the overall water reservoir in young stellar objects (YSOs). Without further HOOH detections, it is difficult to assess and develop suitable chemical models that properly take into account the formation of water on icy surfaces. Aims. The objective of this work is to identify HOOH in YSOs and thereby constrain the grain surface water formation hypothesis. Methods. Using an astrochemical model based on previous work in combination with a physical model of YSOs, the sources R CrA-IRS 5A, NGC C1333-IRAS 2A, L1551-IRS 5, and L1544 were identified as suitable candidates for an HOOH detection. Long integration times on the APEX 12 m and IRAM 30 m telescopes were applied to search for HOOH signatures in these sources. Results. None of the four sources under investigation showed convincing spectral signatures of HOOH. The upper limit for HOOH abundance based on the noise level at the frequency positions of this molecule for the source R CrA-IRS 5A was close to the predicted value. For NGC 1333-IRAS 2A, L1544, and L1551-IRS 5, the model overestimated the hydrogen peroxide abundances. Conclusions. HOOH remains an elusive molecule. With only one secure cosmic HOOH source detected so far, namely ρ Oph A, the chemical model parameters for this molecule cannot be sufficiently well determined or confirmed in existing models. Possible reasons for the nondetections of HOOH are discussed.

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