Browsing by Author "Jensen, Tomas Lunde"
Now showing items 1-15 of 15
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All Molecular Surfaces are Equal: Demanding Invariance of Predictions in Linear Single-Variable Models
Kjønstad, Eirik; Moxnes, John Fredrik; Jensen, Tomas Lunde; Unneberg, Erik (2016)The molecular surface has been suggested to be a region of the molecule where information of non-covalent intermolecular interactions is present. Many workers have pursued this idea by constructing models based on statistical ... -
Calculation of decomposition products from components of gunpowder by using ReaxFF reactive force field molecular dynamics and thermodynamic calculations of equilibrium composition
Jensen, Tomas Lunde; Moxnes, John Fredrik; Unneberg, Erik; Dullum, Ove (2014)The major combustion products from munitions containing nitro-based propellants are water, carbon monoxide, carbon dioxide, hydrogen and nitrogen. In addition, compounds including hydrogen cyanide, ammonia, methane, nitrogen ... -
A computational study of density of some high energy molecules
Moxnes, John Fredrik; Hansen, Finn Knut; Jensen, Tomas Lunde; Sele, Marta Lill; Unneberg, Erik (2016)The detonation pressure depends quadratically on the loading density of the explosives. A precise estimate of the density is thus crucial to decide if a novel energetic material is worth pursuing. In this work we investigate ... -
A Critical Investigation of Proposed Electrostatic Corrections to Quantum Mechanical Volumes: The Importance of Variation and the Irrelevance of Imbalance
Kjønstad, Eirik; Moxnes, John Fredrik; Jensen, Tomas Lunde; Unneberg, Erik (2016)The crystal density of neutral and ionic molecular crystals is remarkably well approximated by the enclosed volume of molecular surfaces, where these surfaces are defined as regions of constant and small electron density. ... -
Curing of Glycidyl Azide Polymer (GAP) diol using isocyanate, isocyanate-free, synchronous dual, and sequential dual curing systems
Hagen, Trond Heldal; Jensen, Tomas Lunde; Unneberg, Erik; Stenstrøm, Yngve; Kristensen, Tor Erik (2015)Glycidyl azide polymer (GAP) is an important energetic binder candidate for new minimum signature solid composite rocket propellants, but the mechanical properties of such GAP propellants are often limited. The mechanical ... -
Isocyanate-Free and Dual Curing of Smokeless Composite Rocket Propellants
Landsem, Eva; Jensen, Tomas Lunde; Kristensen, Tor Erik Holt; Hansen, Finn Knut; Benneche, Tore; Unneberg, Erik (2013)Traditional composite rocket propellants are cured by treatment of hydroxyl-terminated prepolymers with polyfunctional aliphatic isocyanates. For development of smokeless composite propellants containing nitramines and/or ... -
Mechanical Properties of Smokeless Composite Rocket Propellants Based on Prilled Ammonium Dinitramide
Landsem, Eva; Jensen, Tomas Lunde; Hansen, Finn Knut; Kristensen, Tor Erik Holt; Unneberg, Erik (2012)Ammonium dinitramide (ADN) is a high performance solid oxidizer of interest for use in high impulse and smokeless composite rocket propellant formulations. While rocket propellants based on ADN may be both efficient, clean ... -
Micro indentation hardness testing of commercial-grade RDX crystals
Moxnes, John Fredrik; Frøyland, Øyvind; Olsen, Torbjørn; Jensen, Tomas Lunde; Unneberg, Erik (2016)This paper describes the continuous micro indentation hardness testing of two commercial grades of RDX with differing shock sensitivities using three (3) different loads on a Berkovich indenter to obtain values of elastic ... -
Models for predicting impact sensitivity of energetic materials based on the trigger linkage hypothesis and Arrhenius kinetics
Jensen, Tomas Lunde; Moxnes, John Fredrik; Unneberg, Erik; Christensen, Dennis (2020)In order to predict the impact sensitivity of high explosives, we designed and evaluated several models based on the trigger linkage hypothesis and the Arrhenius equation. To this effect, we calculated the heat of detonation, ... -
Neutral Polymeric Bonding Agents (NPBA) and Their Use in Smokeless Composite Rocket Propellants Based on HMXGAP- BuNENA
Landsem, Eva; Jensen, Tomas Lunde; Hansen, Finn Knut; Unneberg, Erik; Kristensen, Tor Erik Holt (2012)Very few efficient bonding agents for use in solid rocket propellants with nitramine filler materials and energetic binder systems are currently available. In this work, we report the synthesis, detailed characterization, ... -
Smokeless GAP-RDX Composite Rocket Propellants Containing Diaminodinitroethylene (FOX-7)
Jensen, Tomas Lunde; Unneberg, Erik; Kristensen, Tor Erik (2017)Composite rocket propellants prepared from nitramine fillers (RDX or HMX), glycidyl azide polymer (GAP) binder and energetic plasticizers are potential substitutes for smokeless double-base propellants in some rocket motors. ... -
A Study of the Detonation Properties, Propellant Impulses, Impact Sensitivities and Synthesis of Nitrated ANTA and NTO Derivatives
Jensen, Tomas Lunde; Moxnes, John Fredrik; Kjønstad, Eirik Fadum; Unneberg, Erik (2016)Nitrated derivatives of 5-amino-3-nitro-1,2,4-triazole (ANTA) and 3-nitro-1,2,4-triazol-5-one (NTO) were theoretically characterized with respect to their performance as high explosives and rocket propellants. The detonation ... -
Study of thermal instability of HMX crystalline polymorphs with and without molecular vacancies using reactive force field molecular dynamics
Moxnes, John Fredrik; Jensen, Tomas Lunde; Unneberg, Erik (2016)The sensitivity of energetic materials can be identified by heat, friction, impact, shock, electrostatic charge, etc. A complexity of various factors may influence the sensitivity and among them are the crystal structure ... -
Synthesis and characterization of Al@MOF materials
Langseth, Eirin; Swang, Ole; Arstad, Bjørnar; Lind, Anna Maria; Cavka, Jasmina Hafizovic; Jensen, Tomas Lunde; Kristensen, Tor Erik; Moxnes, John Fredrik; Unneberg, Erik; Heyn, Richard H. (2019)The potential impregnation of Al(0) nanoparticles in the pores of three different metal-organic frameworks (MOFs), MIL-53-Al, HKUST-1, and UiO-67, was investigated through the suspension of the MOFs in AlH3•NMe2Et (1), ... -
Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study
Wiik, Kristine; Høyvik, Ida-Marie; Unneberg, Erik; Jensen, Tomas Lunde; Swang, Ole (2022-04-26)To handle energetic materials safely, it is important to have knowledge about their sensitivity. Density functional theory (DFT) has proven a valuable tool in the study of energetic materials, and in the current work, DFT ...