DBpp: Chemical-physical properties

In HomoPolymer: Theoretical Model to Simulate Radical Polymerization

Description

Data of chemical-physical properties for monomers, solvents, initiators, inhibitors, transfer agents and polymers

Usage

data("DBpp")

Format

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)

Author(s)

Gianmarco Polotti

Examples

data(DBpp)

HomoPolymer documentation built on May 29, 2017, 2:57 p.m.