Pre-exponential and activation energy factor for kinetic constant of propagation, termination, transfer etc.

datasets

A theoretical model to simulate  radical polymerization. Material, energy and population balances are integrated for batch, semi batch and continuous process in a ideally mixed reactor. Limitations: single monomer (i.e.homo polymer), one phase (organic, aqueous). Datasets with chemical-physical data for the most common monomers is included. Some background in polymer science is suggested for its use. Graphical interface for a quick and friendly use is available.

Gianmarco Polotti

HomoPolymer

Theoretical Model to Simulate Radical Polymerization

DBk function

A data frame with 99 observations on the following 8 variables.
  <dl>
    <dt><code>code1</code></dt><dd>code key for the chemical substance as in code in table DBpp</dd> <dt><code>code2</code></dt><dd>code key for the chemical substance as in code in table DBpp, value used only when binary interactions are involved</dd> <dt><code>type</code></dt><dd>a factor with levels <code>Kd</code> initiator dissociation 
											<code>Kfm</code> transfer to monomer 
											<code>Kfp</code> transfer to polymer 
											<code>Kfs</code> transfer to solvent 
											<code>Kft</code> transfer to transfer agent 
											<code>Kfz</code> termination to inhibitor 
											<code>Kp</code>  monomer propagation 
											<code>Kps</code> terminal double bond polymerization 
											<code>Kpss</code> internal double bond polymerization 
											<code>Kt</code>  bimolecular termination (global)
											<code>Ktc</code> bimolecular termination by combination 
											<code>Ktd</code> bimolecular termination by disproportionation</dd> <dt><code>K0</code></dt><dd>pre-exponential factor (1/min , L/mol min)</dd> <dt><code>E</code></dt><dd>activation energy (cal/mol)</dd> <dt><code>Ak</code></dt><dd>pre-exponential factor for gel deactivation effect</dd> <dt><code>Ek</code></dt><dd>activation energy for gel deactivation effect</dd> <dt><code>ABC</code></dt><dd>exponential parameter for gel deactivation effect</dd> </dl> 

DBk: Kinetic constant data

Description

Usage

Arguments

Format