The Thermodynamics group at NPL is involved in a range of research activities that involves the non-equilibrium behavior of materials systems in terms of heat and mass flow (TherMOL) and the coupling of these with equilibrium chemistry simulations.

We are able to offer a consultancy service in this area to customers who wish to develop multi-physics models of materials or processes. This can range from the development and licensing of models for customer end use to providing a service of calculations performed at NPL.

Atomistic methods

At shorter length scales we have a developing capability covering molecular dynamics and ab initio quantum mechanics (gaseous molecules and crystals) as a route to determining experimentally difficult properties that are needed as inputs to thermodynamic models. For information relating to the calculation of gas phase thermodynamic properties from basic molecular information, click here.

Contact

Customer Service tel: +44 20 8943 8681
E-mail: materials_enquiries@npl.co.uk