@article{HagerHentschkeHojdisetal.2015,
  author    = {Hager, Jonathan and Hentschke, Reinhard and Hojdis, Nils and Karimi-Varzaneh, Hossein Ali},
  title     = {Computer Simulation of Particle-Particle Interaction in a Model Polymer Nanocomposite},
  series = {Macromolecules},
  volume    = {48},
  journal   = {Macromolecules},
  number    = {24},
  issn      = {1520-5835},
  doi       = {10.1021/acs.macromol.5b01864},
  pages     = {9039 -- 9049},
  year      = {2015},
  language  = {en}
}
@article{HentschkeHagerHojdis2014,
  author    = {Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils},
  title     = {Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers},
  series = {Journal of Applied Polymer Science},
  volume    = {131},
  journal   = {Journal of Applied Polymer Science},
  number    = {18},
  publisher = {Wiley},
  address   = {New York, NY},
  issn      = {1097-4628},
  doi       = {10.1002/app.40806},
  pages     = {1 -- 9},
  year      = {2014},
  abstract  = {Recently, we have suggested a nanomechanical model for dissipative loss in filled elastomer networks in the context of the Payne effect. The mechanism is based on a total interfiller particle force exhibiting an intermittent loop, due to the combination of short-range repulsion and dispersion forces with a long-range elastic attraction. The sum of these forces leads, under external strain, to a spontaneous instability of "bonds" between the aggregates in a filler network and attendant energy dissipation. Here, we use molecular dynamics simulations to obtain chemically realistic forces between surface modified silica particles. The latter are combined with the above model to estimate the loss modulus and the low strain storage modulus in elastomers containing the aforementioned filler-compatibilizer systems. The model is compared to experimental dynamic moduli of silica filled rubbers. We find good agreement between the model predictions and the experiments as function of the compatibilizer's molecular structure and its bulk concentration.},
  language  = {en}
}
@book{Pettrak2014,
  author    = {Pettrak, J{\"u}rgen},
  title     = {Nutzung nachwachsender Rohstoffe bei der Herstellung thermoplastischer Elastomere aus Folgeprodukten der Olefinmetathese},
  publisher = {Attenkofer},
  address   = {Straubing},
  isbn      = {978-3-942742-35-1},
  pages     = {147 Seiten},
  year      = {2014},
  language  = {de}
}
@article{RieplPettrakFaulstichetal.2010,
  author    = {Riepl, Herbert Matthias and Pettrak, J{\"u}rgen and Faulstich, Martin and Herrmann, Wolfgang Anton},
  title     = {Self metathesis of fatty alcohols and amines to provide monomers for polyester and polyamide products},
  series = {Macromolecular Symposia},
  volume    = {293},
  journal   = {Macromolecular Symposia},
  number    = {1},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1521-3900 (eISSN)},
  doi       = {10.1002/masy.200900041},
  pages     = {39 -- 42},
  year      = {2010},
  abstract  = {Self metathesis of oleochemicals offers a variety of bifunctional compounds, that can be used as monomer for polymer production. Many precursors are in huge scales available, like oleic acid ester (biodiesel), oleyl alcohol (tensides), oleyl amines (tensides, lubricants). We show several ways to produce and separate and purify C18-α,ω-bifunctional compounds, using Grubbs 2nd Generation catalysts, starting from technical grade educts.},
  language  = {en}
}
@phdthesis{Pettrak2010,
  author    = {Pettrak, J{\"u}rgen},
  title     = {Nutzung nachwachsender Rohstoffe bei der Herstellung thermoplastischer Elastomere aus Folgeprodukten der Olefinmetathese},
  publisher = {Technische Universit{\"a}t M{\"u}nchen},
  address   = {M{\"u}nchen},
  pages     = {137 Seiten},
  year      = {2010},
  abstract  = {Metathese von {\"O}ls{\"a}ure und Derivaten ist ein interessanter Weg f{\"u}r die Synthese bifunktioneller Verbindungen aus nachwachsenden Rohstoffen. Verwendet wurden Ru-Katalysatoren der zweiten Generation, welche eine hohe Toleranz gegen{\"u}ber funktionellen Gruppen und Verunreinigungen aufweisen. Trotz des Einsatzes technischer Edukte waren Umsetzungen mit niedrigen Katalysatormengen (0.001 - 0.01 mol-\%) m{\"o}glich, mit Ausbeuten entsprechend der Literatur. Kreuzmetathesen erm{\"o}glichten variable Kettenl{\"a}ngen und Funktionalit{\"a}ten der Monomere, die Produktgewinnung ist jedoch aufw{\"a}ndig. Selbstmetathese lieferte C18-bifunktionelle Verbindungen, welche einfach durch Destillation oder Kristallisation isoliert werden k{\"o}nnen. Neben der katalystischen Umsetzung wurde auch die Produktgewinnung untersucht und f{\"u}r ausgew{\"a}hlte Produkte auch im gr{\"o}ßeren Maßstab durchgef{\"u}hrt.},
  language  = {de}
}
@article{WallerBraunHojdisetal.2007,
  author    = {Waller, Mark P. and Braun, Heiko and Hojdis, Nils and B{\"u}hl, Michael},
  title     = {Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory},
  series = {Journal of Chemical Theory and Computation},
  volume    = {3},
  journal   = {Journal of Chemical Theory and Computation},
  number    = {6},
  issn      = {1549-9626},
  doi       = {10.1021/ct700178y},
  pages     = {2234 -- 2242},
  year      = {2007},
  language  = {en}
}