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Abstract

A method of determining a presence and location of a subsurface hydrocarbon accumulation from a sample of naturally occurring substance. An expected concentration of isotopologues of a hydrocarbon species is determined. An expected temperature dependence of isotopologues present in the sample is modeled using high-level ab initio calculations. A clumped isotopic signature of the isotopologues present in the sample is measured. The clumped isotopic signature is compared with the expected concentration of isotopologues. Using the comparison, it is determined whether hydrocarbons present in the sample originate directly from a source rock or whether the hydrocarbons present in the sample have escaped from a subsurface accumulation. The current equilibrium storage temperature of the hydrocarbon species in the subsurface accumulation prior to escape to the surface is determined. A location of the subsurface accumulation is determined. This information may be integrated with pre-drill basin burial history models to calibrate a basin model.

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