Preparation of Polymer Microparticles through Nonaqueous Suspension Polycondensations: Part V—Modeling and Parameter Estimation for Poly(butylene succinate) Polycondensations

Abstract

Polycondensation polymers are normally produced through bulk and solution polymerization processes, which are characterized by significant mass and heat transfer constraints and difficult polymer purification (when prepared in solution). Therefore, it is desirable to develop industrial processes that can circumvent some of these limitations. Recently, a suspension polycondensation process has been developed, rendering the industrial process simpler and enabling the manufacture of polycondensation polymer microparticles. For this reason, the present work builds a phenomenological model to describe the analyzed suspension polycondensation reactions and estimate the model parameters required to simulate poly(butylene succinate) suspension polycondensations. It is shown that both the suspending medium and the reaction conditions can affect the mass transfer resistance for removal of water and that mass transfer rate coefficients are controlled mainly by reaction temperature and solubility of water in the suspending medium, leading to higher mass transfer rates when polymerizations are carried out in soybean oil (when compared to paraffin) at higher temperatures.

Enzymatic Synthesis of Hydroxy-Functionalized Glycerol-Based Polyesters: A Study of Functionalization, Regioselectivity Control, and Catalyst Reuse

“…A nonenzymatic esterification reaction at 180 °C with the same comonomer ratio, as in reaction PPSG 20 , was carried out for comparison (Table ). This specific reaction system was chosen because esterification is self-catalyzed by the acid group, while transesterification reaction requires catalysts such as enzymes or organometallic materials. , The nonenzymatic reaction at 180 °C yielded an extremely sticky polymer insoluble in chloroform after 12 h of reaction with a gel content of 97%, illustrating the low selectivity of noncatalyzed polycondensation regarding the reactive hydroxyl groups from glycerol. Therefore, the presence of an enzyme was essential to achieving the purpose of this work, related to the synthesis of succinic copolyesters of glycerol with tunable degrees of hydrophilicity.…”

“…The direct esterification reaction was started at 150 °C, above the melting temperature of succinic acid, and 500 rpm under a stream of nitrogen at a flow rate of 3 mL s −1 for 1 h at atmospheric pressure. Next, the pressure was reduced to 0.1 atm, the temperature increased to 180 °C, and the reaction was maintained for an additional 12 h under the constant stirring rate of 500 rpm without enzyme addition …”

Use of Chicken Litter for In Situ Polymerization of Poly(Butylene Succinate) (PBS) Based Polymer Composites

“…The relatively low average molar masses of PBS samples are related to the reaction temperature and to the mass transfer constraints of typical bulk polycondensation processes, as described elsewhere. [28,42] Despite this, this material can be used in cosmetic and agricultural applications, due to the lower resistance to aqueous degradation. [21] PBS that had no presence of CL also had low molar mass, while pure CL had one of the highest molar masses.…”

Monte Carlo simulation of terpolymerization: Optimizing the simulation and post‐processing times

“…Moreover, the simulations allow process optimization, as the model results can be compared with experimental ones to determine the best conditions. [ 15–17 ]…”

“…Moreover, the simulations allow process optimization, as the model results can be compared with experimental ones to determine the best conditions. [15][16][17] Different models can be used to simulate polymerization processes, and can be divided into two major groups: deterministic and stochastic. The first one is characterized by solving algebraic and ordinary (or partial) differential equations.…”