Description
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DTU intends to purchase an X-Pulse Benchtop NMR Spectrometer from Oxford Instruments GmbH based on the following. The research in the Magnetic Resonance and Electrochemistry Lab at DTU Chemistry, a benchtop nuclear magnetic resonance (NMR) spectrometer is required. This spectrometer requires some specific characteristics for the specific research needs of the group: full broadband tuneability, pulsed-field gradients (PFG), operando capabilities, and temperature control. It is also important that the probes are user-accessible so they can be easily serviced and upgraded as necessary with modular hardware. Further, the experiments should be modifiable such that NMR methods can be altered and developed according to the group’s specific needs. Broadband tuneability: The instrument should be completely broadband tuneable (not limited to a fixed number), specifically to 1H, 13C, 31P, 19F, and 23Na and should also include low-gamma nu-clides such as 35Cl, 17O, and 6Li; multiple nuclides should be able to be tuned simultaneously. Pulsed-field gradients: The instrument requires PFG capability in order to perform the specific transport experiments intended by the group. Gradients of at least 0.5 T/m are necessary to achieve appropriate spatial resolution as well as being able to probe electrolyte transport with PFG-NMR. Operando capabilities: The spectrometer probe should be removable by general users without a need for specialised tools and should be generally accessible to facilitate operando experimental setups. This spectrometer should be easy to transport for online monitoring of experiments via a flow system. The system should also be able to integrate peripheral devices that can be triggered during the experiments. A hardware lock is preferable to maintain high-quality experiments in operando. Temperature control: The temperature of the sample must be adjustable independently and de-coupled from the magnet temperature. Wide temperature control is needed to probe different conditions of battery operation, from freezing temperatures to electrolyte breakdown temperatures, enabling the study of operation at extreme conditions and the effects of storage temperatures. Direct heating to sample Experiment development: The system should enable modification of NMR experiments (pulse sequences) for method development. This unique combination of capability is required for the group’s particular research intentions to study battery electrolytes in situ using combinations of magnetic resonance imaging, and holistic analytical chemistry. This includes operating electrochemical cells within the magnet, and monitoring electrolyte salts and solvents, as well as diffusion characteristics throughout these experiments. There are very few available benchtop NMR spectrometers on the market. The main vendors are Bruker, Oxford, and Magritek. Other vendors generally lack modification capabilities as they are targeted at operators rather than expert users. Of the named vendors, only the X-Pulse system from Oxford Instruments meets the specific combination of technical requirements of the group, which are: 1) Complete broadband tuneability, including to low-gamma nuclides, with no limit on number 2) Pulsed-field gradient capabilities with gradient strengths >0.5 T/m 3) Integrated chemically resistant flow setup for online monitoring 4) Easily accessible and removable probe, enabling simple maintenance and upgradability 5) Hardware 2H locking system for consistent lock without the need for deuterated solvents 6) Easy-to-move system for relocation to experimental setups 7) Wide temperature control (0-65 °C) covering temperatures relevant for monitoring battery processes While the competitor products may offer a selection of these capabilities, their instruments do not have the specific combination of technical specifications required for the intended work. Therefore, the Oxford Instruments X-Pulse system is the only system that can meet all the necessary requirements for the group’s intended needs.