How phase transfer increases the number of kinetic regimes from three to seven in nitroxide mediated polymerization of n-butyl acrylate in aqueous miniemulsion

Synthesis of copolymers of N‐vinylpyrrolidone and 2‐ethylhexyl acrylate by DL‐methionine‐mediated reversible deactivation radical polymerization and their dispersion behavior in preparation of LiFePO4 battery positive slurry with high solid content

“…However, the control agent also has some limitations, such as certain toxicity, cumbersome synthesis, valuableness, causing the product to turn yellow and so on. [46][47][48][49][50][51][52][53][54] In our previous work, we selected DL-methionine as a new RDRP control agent and successfully prepared polystyrene (PSt), polymethyl methacrylate (PMMA) and polymethyl methacrylate-blockpolystyrene (PMMA-b-PSt) by chemical initiation. 55 The structure of poly(N-vinylpyrrolidone) (PVP) polymerized by N-vinylpyrrolidone (NVP) contains methylene and lactam, which has both hydrophilic and lipophilic effects.…”

Comparing SG1 and TEMPO for NMP of n-butyl acrylate in miniemulsion to optimize the average particle size for rate and molecular control

“…However, polymerization in miniemulsion is more complicated than in solution or bulk due to the so-called (kinetic) compartmentalization effect. 35,49–55 This effect encompasses two sub-types: (i) the “segregation effect” preventing two radicals from reacting with each other if they are in different particles, 49,54 and (ii) the “confined space effect” expressing that two radicals inside the same (nano)particle react faster if d p is smaller, 56,57 at least if the number of radicals in the nanoparticles is low. In this case, a limiting radical concentration is the reciprocal of the product of the Avogadro constant ( N A ) and the (average) particle volume ( v p ), from which Tobita 58 defined the “single molecule concentration effect”.…”

“…The resulting exit rate depends on d p , the molecular diffusivity, and the thermodynamics of the phase partitioning between the aqueous and organic phase. Recently, Zeinali et al 55 were the first to measure SG1 partitioning coefficients for acrylates under non-reactive conditions at different temperatures. Specifically, at a temperature of 385 K, a free SG1 partitioning coefficient of 144 was obtained.…”

“…The authors simulated the short chain branching (SCB) fraction up to high conversion in a d p range of 20 to 80 nm for a SG1 partition coefficient theoretically ranging from 50 to 5000. Very recently, Zeinali et al , 55 upgraded the Smith–Ewart-based model by Van Steenberge et al 64 by using experimentally determined SG1 partitioning coefficients, adding exit/entry of small (R 0 ) NMP initiator radicals and the key β-scission side reaction to properly predict the livingness.…”

A Signal‐To‐Noise‐Ratio‐Based Automated Algorithm to accelerate Kinetic Monte Carlo Convergence in Basic Polymerizations

“…[8][9][10][11] Additionally, the deterministic simulation tasks present practical complications if one has to cope with distributed species types thus one or more populations, in which a variable often called a discriminator is needed to group the population members. [12][13][14][15] As a consequence, thousands or even millions of different groups of individuals need to be described to represent a population, which for detailed descriptions implies solving a very high amount of differential equations, likely being a huge task for the available computational capabilities.…”