G. B. Marin

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– We study coupled irreversible processes. For linear or linearized kinetics with microreversibility, ˙ x = Kx, the kinetic operator K is symmetric in the entropic inner product. This form of Onsager's reciprocal relations implies that the shift in time, exp(Kt), is also a symmetric operator. This generates the reciprocity relations between the kinetic(More)
  • Dagmar R. D’hooge, Paul H. M. Van Steenberge, Marie-Françoise Reyniers, Guy B. Marin
  • 2014
Based on kinetic Monte Carlo simulations of the monomer sequences of a representative number of copolymer chains (≈ 150,000), optimal synthesis procedures for linear gradient copolymers are proposed, using bulk Initiators for Continuous Activator Regeneration Atom Transfer Radical Polymerization (ICAR ATRP). Methyl methacrylate and n-butyl acrylate are(More)
  • Stijn K. Fierens, Dagmar R. D’hooge, Paul H. M. Van Steenberge, Marie-Françoise Reyniers, Guy B. Marin
  • 2015
The use of Pareto-optimal fronts to evaluate the full potential of reversible deactivation radical polymerization (RDRP) using multi-objective optimization (MOO) is illustrated for the first time. Pareto-optimal fronts are identified for activator regenerated electron transfer atom transfer radical polymerization (ARGET ATRP) of butyl methacrylate and(More)
EXTENDED ABSTRACT The analysis of complex reaction networks can be performed in two complementary ways: (a) Insight in the chemistry of the investigated process can be translated into so-called chemical rules. This can be implemented as algorithms in computer code, allowing the automatic generation of reaction networks consisting of several thousands of(More)
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