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    Features

    Impact of Mass Transfer Limitation of Polyurethane Reactions

    ...

    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Figure 1. Experimental data and simulation results of reaction temperature, viscosity profile, isocyanate moieties and alcohol moieties considering the inter-molecular movement approach. Circles and squares refer to experimental data of temperature and viscosity respectively. Black, green, blue, and orange lines refer to the simulation results of temperature, viscosity, isocyanate moieties, and alcohol moieties respectively.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Figure 2. Ratio of the rate of diffusion to the rate of reaction for inter-molecular diffusion. Blue and green lines represent the ratio and viscosity profile respectively.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Figure 3. Concentration profile of the encounter complex during the reaction using inter-molecular movement. Blue and green lines represent the complex concentration and viscosity profile respectively.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Figure 4. Experimental data and simulation results of reaction temperature, viscosity profile, isocyanate moieties and polyol moieties considering the intra- and inter-molecular movement approach. Circles and squares refer to experimental data of temperature and viscosity respectively. Black, green, blue, and orange lines refer to the simulation results of temperature, viscosity, isocyanate moieties, and alcohol moieties respectively.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Figure 5. Ratio of the rate of diffusion to the rate of reaction for inter- and intra-molecular diffusion. Blue and green lines represent the ratio and viscosity profile respectively.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Figure 6. Concentration profile of the encounter complex during the reaction using inter-and intra-molecular movement. Blue and green lines represent the complex concentration and viscosity profile respectively.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Figure 7 (left). Experimental data and simulation results of reaction temperature, viscosity profile, isocyanate moieties and polyol moieties considering intra- and inter-molecular movement as a collision frequency factorion. Circles and squares refer to experimental data of temperature and viscosity respectively. Black, green, blue, and orange lines refer to the simulation results of temperature, viscosity, isocyanate moieties, and alcohol moieties respectively.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Table 1. Rate expressions of the diffusion and reaction steps.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Table 2. Formula for polyurethane gel reaction.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Table 3. Specifications of P360 and PMDI.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
    Table 4. Kinetic parameters used in the simulation code.
    Impact of Mass Transfer Limitation of Polyurethane Reactions
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    Harith H. Al-Moameri and Galen J. Suppes, Chemical Engineering, University of Missouri, Columbia, MO02.13.17
    Abstract
    During urethane reactions, large changes in viscosity lead to large changes in mass transfer rates. After the gel point, the mass transfer of blowing agents from the gel to cells essentially ceases; however, mass transfer for reactions continues, albeit at a slower rate. This paper discusses fundamental approaches to account for the impact of these changes in mass transfer on reaction rates.

    Three different approaches were studied to describe the rate of molecular movement of the reactive moieties during polyurethane reactions. Inter- and intra-molecular moiety movements were studied as separate diffusion steps. Inter-molecular movement stops at the gel point and intra-molecular movement has been added to describe moiety movement after the gel point. The collision frequency factor in the Arrhenius equation was modified based on inter- and intra-molecular approaches. Simulation results for reaction temperature and viscosity profiles show good agreement with the experimental data.

    Introduction

    Diffusion-limited reactions are reactions that occur q

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