TY - JOUR A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils T1 - Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers JF - Journal of Applied Polymer Science N2 - 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. KW - theory and modeling KW - supramolecular structures KW - rubber KW - mechanical properties KW - elastomers Y1 - 2014 U6 - http://dx.doi.org/10.1002/app.40806 SN - 1097-4628 VL - 131 IS - 18 SP - 1 EP - 9 PB - Wiley CY - New York, NY ER - TY - JOUR A1 - Lauth, Jakob A1 - Hoelderich, W. A1 - Wagenblast, G. T1 - Molecular sieves containing azo dyes JF - Zeolites. 15 (1995), H. 2 Y1 - 1995 SN - 0144-2449 SP - 184 ER - TY - PAT A1 - Lauth, Jakob A1 - Hoelderich, Wolfgang A1 - Wagenblast, Gerhard T1 - Molecular sieves containing azo dyes : United States Patent ; patent number 5,573,585 ; date of patent: Nov. 12, 1996 / assignee: Wolfgang Hoelderich. Inventors: Guenter Lauth ; Wolfgang Hoelderich ; Gerhard Wagenblast ... Y1 - 1996 N1 - Barcode: US005573585A ; Volltext über Datenbank: http://www.google.com/patents PB - [United States Trademark and Patent Office] CY - [Alexandria, VA] ER - TY - BOOK A1 - Lauth, Jakob A1 - Hoelderich, Wolfgang A1 - Wagenblast, Gerhard T1 - Molecular sieves containing azo dyes ; Internationale [Pantent]anmeldung WO93/17965 ; Veröffentlichungsdatum: 16.09.1993 / Anmelder: BASF AG Y1 - 1993 N1 - Volltext über Datenbank http://depatisnet.dpma.de/ PB - Weltorganisation für geistiges Eigentum, Internat. Büro CY - [Genf] ER - TY - JOUR A1 - Meyer, Jan A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils A1 - Karimi-Varzaneh, Hossein Ali T1 - Molecular Simulation of Viscous Dissipation due to Cyclic Deformation of a Silica–Silica Contact in Filled Rubber JF - Macromolecules Y1 - 2017 U6 - http://dx.doi.org/10.1021/acs.macromol.7b00947 SN - 1520-5835 VL - 50 IS - 17 SP - 6679 EP - 6689 ER - TY - PAT A1 - Lauth, Jakob A1 - Hölderich, Wolfgang A1 - Wagenblast, Gerhard A1 - Schefczik, Ernst T1 - Molekularsiebe, enthaltend Farbstoffe auf Basis von Indigo : Offenlegungsschrift DE4207339A1 ; Veröffentlichungstag im Patentblatt: 16.09.1993 / Anmelder: BASF AG, 67063 Ludwigshafen Y1 - 1993 N1 - Volltext über Datenbank: http://publikationen.dpma.de/ PB - Deutsches Patent- und Markenamt CY - München ER - TY - BOOK A1 - Lauth, Jakob A1 - Hoelderich, Wolfgang A1 - Wagenblast, Gerhard T1 - Molekularsiebe, enthaltend Farbstoffe auf Basis von Indigo = Molecular sieves containing indigo-based dyes ; Europäische Patenanmeldung EP0630353A1 ; Veröffentlichungsdatum 28.12.1994 / Anmelder: BASF AG Y1 - 1994 N1 - Internationale Anmeldung veröffentlicht durch die Weltorganisation für geistiges Eigentum unter der Nummer WO 93/17966 PB - Europäisches Patentamt CY - [München u.a.] ER - TY - BOOK A1 - Lauth, Jakob A1 - Hoelderich, Wolfgang A1 - Wagenblast, Gerhard T1 - Molekularsiebe, enthaltend Farbstoffe auf Basis von Indigo = Molecular sieves containing indigo-based dyes ; Internationale [Pantent]anmeldung WO 93/17966 ; Veröffentlichungsdatum 16.09.1993 / Anmelder: BASF AG Y1 - 1993 N1 - Volltext über Datenbank http://depatisnet.dpma.de/ PB - Weltorganisation für geistiges Eigentum, Internat. Büro CY - [Genf] ER - TY - JOUR A1 - Mang, Thomas A1 - Haulena, Friedhelm T1 - Monodisperse latex particles with functional groups JF - Modification of polymers : 4th Dresden Polymer Discussion ; September 22 to 25, 1992 at Gaussig / Dresden University of Technology, Department of Macromolecular Chemistry and Textile Chemistry; Institute of Polymer Technology Dresden. [Organizers: Claudia Kummerlöwe ...] Y1 - 1992 N1 - Dresdner Polymer Discussion <4, 1992, Gaußig> SP - 68 EP - 88 PB - Univ. CY - Dresden ER - TY - PAT A1 - Lauth, Jakob A1 - Trübenbach, Peter A1 - Hagemeyer, Alfred T1 - Monomodal and polymodal catalyst supports and catalysts having narrow pore size distributions and their production : United States Patent ; patent number 5,935,898 ; date of patent: Aug. 10, 1999 / assignee: BASF Aktiengesellschaft. Inventors: Peter Trubenbach ; Alfred Hagemeyer ; Gunter Lauth ... Y1 - 1999 N1 - Barcode: US005935898A ; Volltext über Datenbank: http://www.google.com/patents ; Falsche Namensansetzung in Datenbank: Gunter ... PB - [United States Patent and Trademark Office] CY - [Alexandria, VA] ER -