title: Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations.
abstract: A theory of dynamic nuclear polarisation (DNP) by thermal mixing is suggested based on purely quantum considerations. A minimal 6-level microscopic model is developed to test the theory and link it to the well-known thermodynamic model. Optimal conditions for the nuclear polarization enhancement and effects of inhomogeneous broadening of the electron resonance are discussed. Macroscopic simulations of nuclear polarization spectra displaying good agreement with experiments, involving BDPA and trityl free radicals, are presented.
authors: School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. karabanov@hotmail.co.uk.
authors: Alexander
authors: A
authors: Karabanov
authors: School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. karabanov@hotmail.co.uk.
authors: Grzegorz
authors: G
authors: Kwiatkowski
authors: School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK.
authors: Carlo U
authors: CU
authors: Perotto
authors: School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. karabanov@hotmail.co.uk.
authors: Daniel
authors: D
authors: Wiśniewski
authors: School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK.
authors: Jonathan
authors: J
authors: McMaster
authors: School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. karabanov@hotmail.co.uk and Centre for the Mathematics and Theoretical Physics of Quantum Non-equilibrium Systems, University of Nottingham, Nottingham NG7 2RD, UK.
authors: Igor
authors: I
authors: Lesanovsky
authors: School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. karabanov@hotmail.co.uk.
authors: Walter
authors: W
authors: Köckenberger