DBpp: Chemical-physical properties
Description
Data of chemical-physical properties for monomers, solvents, initiators, inhibitors, transfer agents and polymersFormat
A data frame with 34 observations on the following 17 variables.
name
- character vector with the chemical name of the substance
type
- a factor with levels
C
catalytic transfer agent H
inhibitor I
initiator M
monomer P
polymer S
solvent T
transfer agent code
- factor with short symbol to replace chemical names when needed
Medium
- a factor with levels
B
aqueous and organic compound O
only organic compound W
only water soluble compound Keq
- equilibrium pKa for dissociating compound (dimensionless)
delta
- segmental diffusion parameter
a
- root-mean-square end-to-end distance per square root of the number of segments of polymer chain
sigma
- Lennard-Jones diameter of the monomer
jc
- entanglement spacing of polymer
MW
- molecular weight (g/mol)
ro1
- intercept for linear dependency density vs. temperature (kg/L)
ro2
- slope for linear dependency density vs. temperature (kg/L K)
V0f
- free volume
alfa
- volumetric expansion vs. temperature
Tg
- glass transition temperature (K)
Cp
- specific heat capacity (cal/kg K)
DHp
- homo polymerization heat (cal/mol)