vant-hoff-extended.rst

orphan

Extended Van't Hoff

An extended Van't Hoff analysis that assumes constant heat capacity.

global_connectors.VantHoff

Fits a collection of ITC experiments collected in identical buffer conditions, but at different temperatures. The temperature of each experiment is taken from the heats file. Allows extraction of the heat capacity, as well as the enthalpy and binding constant at a reference temperature.

Scheme

ΔH(T) = ΔH_ref + ΔC_p(T − T_ref)

$$K = K(T_{ref})exp \Big ( \frac{-\Delta H_{ref}}{R} \Big (\frac{1}{T} - \frac{1}{T_{ref}} \Big ) + \frac{\Delta C_{p}}{R} \Big ( ln(T/T_{re}) + T/T_{ref} - 1 \Big ) \Big )$$

By performing experiments at a minimum of two temperatures, one can extract the heat capacity ΔC_p, the enthalpy at a reference temperture ΔH_ref and the binding constant at a reference temperature K_ref.

Parameters

parameter	variable	parameter name	class
association constant	Kref	K	thermodynamic
binding enthalpy	ΔHref	dH	thermodynamic
heat capacity	ΔCp	dCp	thermodynamic

Required data for each experiment

data	variable	parameter name
temperature (K)	T	temperature