Journal of Chemical Technology & Biotechnology · 1987 · 10 citations · 9 references
Natural SciencesChemistryComputational ChemistryMass Spectrometric AnalysisPolymer ChemistryMonte Carlo MethodsMonte Carlo SimulationPolymer AnalysisPolymer SimulationSimulation MethodsDistribution Coefficient OptimizationMass DistributionMolar MassMolecular Mass Distribution AnalysisMonte Carlo IntegrationMonte Carlo Simulation Of PolymersOptimization AlgorithmsPhysicochemical Property Modeling
Abstract Numerical integration technique using the Runge‐Kutta method of the fourth order and optimization algorithms using the Monte Carlo method and the simplex Nelder and Mead method were applied for computing the distribution coefficients for polyoxyethylene derivatives of dodecanol, p‐t‐octylphenol and hexylamine. The validity of the proposed more general and quicker computing technique was proven.
9
A First Course in Numerical Analysis
Herbert Maisel, Anthony Ralston · Technometrics · 1966 · 2.5K citations
Bengt Weibull, Bertil Nycander, A. Munthe-Kaas et al. · Acta chemica Scandinavica/Acta chemica Scandinavica. B, Organic chemistry and biochemistry/Acta chemica Scandinavica. A, Physical and inorganic chemistry/Acta chemica Scandinavica. Series B. Organic chemistry and biochemistry/Acta chemica Scandinavica. Series A, Physical and inorganic chemistry · 1954 · 73 citations · Full text