This paper reports reactive dynamics (RD) simulations of a macro-model of Morwell Brown
coal using the ReaxFF reactive force field. We find that these reactive MD simulations …

This paper reports ReaxFF MD simulation results on pyrolysis of a molecular model of the
algaenan Botryococcus braunii race L biopolymer, specifically, ReaxFF predictions on the …

The invention relates to methods for extracting a kerogen-based product from subsurface
shale formations. The methods utilize in-situ reactions of kerogen involving liquid phase …

A method for predicting petroleum production is provided. An exemplary embodiment of The
computer-implemented comprises computing a first approximation of an amount of …

Methods for extracting a kerogen-based product from subsurface (oil) shale formations.
These methods rely on chemically modifying the shale-bound kerogen using a chemical …

A method for treating a geologic formation that includes providing a hydraulic fracture model,
providing a first value representative of a volume of kerogen breaker in a fracturing fluid …

Disclosed herein are methods for extracting a kerogen-based product from subsurface (oil)
shale formations. These methods rely on chemically modifying the shale-bound kerogen …

The invention relates to methods for extracting an organics component from subsurface
shale formations comprising kerogen and an extractible organics component in an inorganic …

The invention relates to methods for extracting a kerogen-based product from subsurface
(oil) shale formations. These methods rely on chemically modifying the shale-bound …

A method for predicting petroleum expulsion. A chemical structure of a kerogen is defined
and a plurality of reaction products of the kerogen under geologic heating rates are …