pdf-lecture notes / pdf-Skripten

Hentschke R Klassische Elektrodynamik (in German)

Hentschke R Introductory Quantum Mechanics (in English)

Hentschke R, Aydt E M, Fodi B, Stöckelmann E Molekulares Modellieren mit Kraftfeldern (in German)

Hager J, Hentschke R Monte Carlo Simulation von Gasen und Flüssigkeiten (in German)

Hentschke R Computer Simulation Laboratory (in English)

textbooks / Lehrbücher

Hentschke R Klassische Statistische Mechanik, Wiley-VCH, Weinheim, 2004. - (Korrekturen)

Hentschke R Thermodynamics, Springer, Heidelberg, 2014. - (corrections)

Hentschke R Classical Mechanics, Springer, Heidelberg, 2017. - (corrections)

selected scientific publications / ausgewählte wissenschaftliche Veröffentlichgungen

main areas of interest:

Liq - statistical mechanics of liquids

PoN - polymer networks

Rub - rubber

SAS - self-assembling structures

S&I - surfaces and interfaces


Rub -- Engelmann, S., Meyer, J., Hentschke, R.: "Computer Simulation of Thermal Conductivity in vulcanized polyisoprene at variable strain and temperature", preprint

Rub -- Hentschke, R.: "The Payne Effect Revisisted" Express Polymer Letters 2017, 11, 278

S&I -- Hentschke, R., Ballnus, C., Meyer, J.: "Remarks on the Interpretation of IR-Absorption Stuidies Applied to the Surfaces of Silica Nanoparticles" Journal of Physical Chemistry C 2016, 120, 9229

Liq -- Hentschke, R: "On the specific heat capacity enhancement in nanofluids", in: Nanoscale Research Letters, 11(1), 1-11 (open access): http://link.springer.com/article/10.1186/s11671-015-1188-5

Rub -- Hager, J., Hentschke, R., Hojdis, N. W., Karimi-Varzaneh, H. A.: "Computer Simulation of Particle-Particle Interaction in a Model Polymer Nanocomposite, in Macromolecules 2015, 48, 9039-9049

Rub -- Hentschke, R., Hager, J., Hojdis, N. W.: "Molecular modeling approach to the prediction of mechanical properties of silica-reinforced rubbers" Journal of Applied Polymer Science 2014, 131, 40806

Rub -- He Xi, Hentschke, R.: "The influence of structure on mechanical properties of filler networks via coarse-grained modeling" Macromolecular Theory and Simulation 2014, DOI: 10.1002/mats.201400009

Liq -- Braun, H.; Hentschke, R.: "Phase coexistence for charged soft dumbbell and ionic soft sphere systems via molecular dynamics simulation" Physical Review E, 2013, 87, 012311

Rub -- He Xi, Hentschke, R.: "Dynamic moduli of filled elastomers - A coarse grained computer model" European Polymer Journal, 2012, 48, 1777

Liq -- Guse, C.; Hentschke, R.: "Simulation study of structural, transport, and thermodynamic properties of TIP4P/2005 water in single-walled carbon nanotubes" Journal of Physical Chemistry B, 2012, 116, 751

Liq -- Jia, R.; Hentschke, R.: "Simulation study of the polarizable Stockmayer fluid in an external field" Physical Review E, 2011, 84, 051508

Liq -- Schreiber, S.; Hentschke, R.: "Monte Carlo simulation of osmotic equilibria" Journal of Chemical Physics, 2011, 135, 134106

PoN -- Hörstermann, H.; Hentschke, R.; Amkreutz, M.; Hoffmann, M.; Wirts-Rütters, M.: "Predicting water sorption and volume swelling in dense polymer systems via computer simulation" Journal of Physical Chemistry B, 2010, 114, 17013

Liq -- Jia, R.; Braun, H.; Hentschke, R.: Gas-liquid coexistence in a system of dipolar soft spheres" Physical Review E, 2010, 84, 062501

Liq -- Guse, C.; Simionescu, A.; Schünemann, B.; Hentschke, R.; Bomsdorf, H.: "Temperature-dependent structure of liquid water investigated by means of energy-dispersive x.ray diffraction and molecular dynamics simulations" Journal of Physics: Condensed Matter, 2010, 22, 325105

Liq -- Jia; R.; Hentschke, R.: "Dipolar particles in an external field: Molecular dynamics simulation and mean field theory" Physical Review E, 2009, 80, 051502

SAS -Ouyang, W.; Hentschke, R.: "From gas-liquid to liquid crystalline phase behavior via anisotropic attraction: a computer simulation study" Journal of Chemical Physics, 2007, 127, 164501

Liq -- Bartke, J.; Hentschke, R.: "Phase behavior of the Stockmayer fluid via molecular dynamics simulation" Physical Review E, 2007, 75, 061503.

Liq -- Hentschke, R.; Bartke, J.; Pesth F.: "Equilibrium polymerization and gas-liquid critical behavior in the Stockmayer fluid" Physical Review E, 2007, 75, 011506.

Liq -- Kabrede, H.; Hentschke, R.: "Spinodal Decomposition in a 3D Lennard-Jones System" Physica, 2006, 361, 485-493.

PoN -- Hentschke, R.; Oyen, E.: "Computer Simulation of Polymer Networks: Swelling by Binary Lennard-Jones Mixtures" Journal of Chemical Physics, 2005, 123, 054902.

PoN -- Dömötör, G.; Hentschke, R.: "Equilibrium swelling of an epoxy-resin in contact with water - a mo-lecular dynamics simulation study" Macromolecular Theory and Simulation, 2004, 13, 506-511.

SAS -- Kabrede, H.; Hentschke, R.: "Global minima of water clusters(H20)N, N²25, described by three empirical potentials" Journal of Physical Chemistry B, 2003, 107, 3914-3920

S&I -- Oyen, E.; Hentschke, R.: "Molecular Dynamics Simulation of Aqueous Sodium Chloride Solution at the NaCl(001) Interface with a Polarizable Water Model" Langmuir, 2002,18, 547-556.

PoN -- Lu, Z.-Y.; Hentschke, R.: "Computer Simulation Study on the Swelling of a Model Polymer Net-work by a Chain-like Solvent" Physical Review E, 2001, 65, 041807-1-7.

PoN -- Lu, Z.-Y.; Hentschke, R.: "Swelling of a Model Network by a one-site solvent: Computer Simulation and Flory-Huggins-like Theory" Physical Review E, 2001, 63, 051801-1-7.

Liq -- Eckstein, E.; Qian, J.; Hentschke, R.; Thurn-Albrecht, T.; Steffen, W.; Fischer, E.W.: "WAXS and Molecular Dynamics Simulation on Propylene Carbonate" Journal of Chemical Physics, 2000, 113, 4751-4762.

SAS -- Fodi, B.; Hentschke, R.: "Simulated Phase Behaviour of Model Surfactant Solutions" Langmuir, 2000, 16, 1626-1633.

SAS -- Qian, J.; Stöckelmann, E.; Hentschke,R.: "Polarization Effects in Water Clusters: A Genetic Algorithm Approach" Journal of Molecular Modeling, 1999, 5, 281-286.

S&I -- Stöckelmann, E.; Hentschke,R.: "Adsorption Isotherms of Water Vapor on Calcite: A Molecular Dynamics-Monte Carlo Hybrid Simulation using a Polarizable Water Model" Langmuir, 1999, 15, 5141-5149.

Liq -- Qian, J.; Hentschke,R.; Heuer, A.: "Dynamic Heterogeneities of Translational and Rotational Motion of a Molecular Glass Former from Computer Simulations" Journal of Chemical Physics, 1999, 110, 4514-4522.

S&I -- Stöckelmann, E.; Hentschke,R.: "A Molecular Dynamics Simulation Study of Water on NaCl(100) using a Polarizable Water Model" Journal of Chemical Physics, 1999, 110, 12097-12107.

Fiesel, R.; Huber,J.; Apel, U.; Enkelmann, V.; Hentschke, R.; Scherf, U.; Cabreira, K.: "Novel chiral Poly(pra-phenylene) Derivatives Containing Cyclophane-Type Moities" Macromolecular Chemistry and Physics, 1997, 198, 2623-2650.

S&I -- Qian, J.; Hentschke, R.; Knoll, W.: "Superstructures of Cyclodextrine Derivatives on Au(111): A Combined Random Planting - Molecular Dynamics Approach" Langmuir, 1997, 13, 7092-7098.

S&I -- Aydt, E.M.; Hentschke, R.: "Quantitative Molecular Dynamics Simulation of High Pressure Adsorption Isotherms of Methane on Graphite" Berichte der Bunsen-Gesellschaft f¸r Physikalische Chemie, 1997, 101, 79-83.

Hentschke, R.; Alig, I.; Soliman, M.; Kröhn, M.: "Molekulares Modellieren in der Polymerforschung" Spektrum der Wissenschaft, 1996, 6, 106-110

SAS -- Bast, T.; Hentschke, R.: "Molecular Dynamics Simulations of Rod-like Micelles: 2,3,6,7,10,11-Hexa-(1,4,7-Trioxaoctyl)-Triphenylene in Water" Journal of Physical Chemistry, 1996, 100, 12162-12171.

Liq -- Kotelyanskii, M. J.; Hentschke, R.: "Gibbs-Ensemble Molecular Dynamics. Liquid-Gas Equilibrium in a Lennard-Jones System" Physical Review E, 1995, 51, 5116-5119.

Hentschke, R.; Kotelyanskii, M. J.: "Compressive Strength of a Rigid-Rod Polymer Fiber Embedded in an Isotropic Matrix" Journal of Material Science, 1995, 30, 1642-1652.

S&I -- Cincotti, S.; Burda, J.; Hentschke, R.; Rabe, J. P.: "Calculation of Monolayer Structures of Hydrocarbon Chains on Transition Metal Dichalcogenides - Dotriacontane (C32H66) on MoSe2" Physical Review E, 1995, 51, 2090-2098.

SAS -- Hentschke, R.; Edwards, P. J.; Boden, N.; Bushby, R. J.: "A Model for Isotropic, Nematic, and Columnar Ordering in a Self-Assembling System - Comparison with the Phase Behavior of 2,3,6,7,10,11-Hexa-(1,4,7-Trioxaoctyl)-Triphenylene in Water" Macromolecular Symposia, Statistical Mechanics of Polymers, 1994, 81, 361-367.

Liq -- Winkler, R.; Hentschke, R.: "Liquid Benzene Confined between Solid Surfaces: A Constant Pressure Molecular Dynamics Study" Journal of Chemical Physics, 1993, 99, 5405-5417.

S&I -- Hentschke, R.; Sch¸rmann, B. L.; Rabe, J. P.: "Molecular Dynamics Simulations of Ordered Alkane Chains Physisorbed on Graphite" Journal of Chemical Physics, 1992, 96, 6213-6221.

S&I -- Hentschke, R.; Sch¸rmann, B. L.: "A Molecular Dynamics Simulation of Liquid Benzene Adsorbed on Graphite" Surface Science, 1992, 262, 180-188.

SAS -- Hentschke, R.: "Effect of Persistent-Flexibility on the Isotropic, Nematic, and Columnar Ordering in a Self-Assembling System" Liquid Crystals, 1991, 10, 691-702.

SAS -- Hentschke, R.; Herzfeld, J.: "Theory of Nematic Order with Aggregate Dehydration for Reversibly Assembling Proteins in Concentrated Solutions-Application to Sickle Cell Hemoglobin Polymers" Physical Review A, 1991, 43, 7019-7030.

SAS -- Hentschke, R.; Herzfeld, J.: "Isotropic, Nematic and Columnar Ordering in Systems of Flexible Hard Rods" Physical Review A, 1991, 44, 1148-1155.

Liq -- Hentschke, R.: "Equation of State for Persistent-Flexible Liquid Crystal Polymers - Comparison with Poly (?-benzyl-L-glutamate) in Dimethylformamide" Macromolecules, 1990, 23, 1192-1196.

Liq -- Taylor, M. P.; Hentschke, R.; Herzfeld, J.: "Theory of Ordered Phases in a System of Parallel Hard Spherocylinders" Physical Review Letters, 1989, 62, 800-803.

SAS -- Hentschke, R.; Herzfeld, J.: "Nematic Behavior of Reversibly Polymerizing Proteins" Journal of Chemical Physics, 1989, 90, 5094-5101.

S&I -- Hentschke, R.; Kleban, P.: "Multiple Scattering at Surface Critical Points" Surface Science, 1988, 202, 533-564.

S&I -- Kleban, P.; Hentschke, R.; Campuzano, J. C.: "Conformal Field Theory and the Au (110) (1x2)-to-(1x1) Phase Transition" Physical Review B, 1988, 37, 5738-5743.

S&I -- Hentschke, R.; Snowdon, K.; Hertel, P.; Heiland, W.: "Matrix Element and Transition Rate for Auger Neutralization of Low Energy Ions Near Metal Surfaces" Surface Science, 1986, 173, 565-580.

S&I -- Hentschke, R.; Kleban, P.; Akinci, G.: "Structure Function, Susceptibility and Correlation Lengths at Critical Points for Infinite Strips with Periodic Boundary Conditions" Journal of Physics A, 1986, 19, 3353-3359.

S&I -- Hentschke, R.; Hertel, P.; Heiland, W.; Snowdon, K.: "Rotational and Vibrational Excitations of Sputtered Dimers" Nuclear Instruments and Methods in Physics Research, 1984, B2, 461-464.