Kinetics of Reaction of Castor Oil Trimethylol Propane Polyol and 4,4′ Diphenyl Methane Diisocyanate

Abstract

The kinetics of the uncatalyzed reaction of diphenyl methane diisocyanate and castor oil (CO)=trimethylol propane (TMP) polyol, with xylene as solvent at different temperatures, solvent concentration and NCO=OH ratios were investigated. The polyol was synthesized from castor oil and trimethylol propane (2-ethyl-2-(hydroxymethyl)-1,3-propanediol) with equivalent ratio of 1:3 via transesterification mechanism. Polyol was then characterized using FTIR spectroscopy and liquid chromatography mass spectroscopy (LCMS) under atmospheric pressure chemical ionization mode. All the reactions obeyed second order kinetics. Enthalpy changes, activation energies and entropies of activation were also calculated. Kinetic data from these reactions will facilitate modeling of these reactions in a batch reactor.

Epoxy modified bio-based hyperbranched polyurethane thermosets

“…The characteristic bands of urethane group appeared at 3406-3430 cm À1 (N-H stretching) and 1729 cm À1 (ÀC=O stretching of urethane linkage) [2,25]. There are two bands at 1627 cm À1 for amide I of urethane, 1470 cm À1 for amide II of urethane.…”

“…Polyurethane has some specificity with respect to its film forming ability, good toughness, high abrasion resistance, good chemical resistance, excellent adhesion, high tear strength, tunable mechanical strength, adequate flexibility and elasticity, including fabrication versatility due to the versatility in structure and composition of the components [1][2][3]. Polyurethanes are generally segmented block copolymers having alternating soft and hard segments.…”

Castor oil-based polyurethane nanocomposites reinforced with organically modified clay

“…PU resins have potential due to their structural versatility (as elastomer, thermoplastic, thermosetting, rigid and flexible foams), as well as the fact that they can be derived from either petroleum or vegetable oils such as castor, canola, soybean, and coffee bean oil. 1 –6 With increasing emphasis on issues concerning waste disposal and depletion of nonrenewable resources, it is imperative to find alternate starting materials that are sustainable, renewable, and, most importantly, biodegradable. The advantages of bio-based starting materials include their low cost, ready availability, renewability, as well as the possible compostibility and biodegradability of the resultant polymer materials after their targeted use.…”

Castor oil/trimethylol propane‐based polyurethane reactions: Modeling in a batch reactor

“…All the bulk polymerization reactions follow a second order kinetics 36–39. The conversion data and calculation of kinetic parameters for all the reactions has been reported elsewhere 40. Rate constants for reference of modeling for different NCO/OH ratios are given below in Table II.…”

“…All the differential eqs. i.e., 2.1–2.18 were solved simultaneously using Euler's method in Bordland C. Final values for the unknown or uncertain model parameters were estimated using the method of “error in variables,” a weighted multivariable nonlinear regression procedure, using experimental data from Kaushik and Singh 40. Error in variable method aims at minimizing the Root Mean Square Error (RMSE) and Mean Relative Quadratic Error (MRQE) between the simulated and experimental data for the system 41–43.…”