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- Angelo Lucia, Heath Henley
- 2013

The multi-scale Gibbs–Helmholtz constrained (GHC) equation is a new predictive cubic equation of state that constrains the energy parameter in the SRK equation to satisfy the Gibbs–Helmholtz equation. It makes use of internal energies of departure calculated from NTP Monte Carlo simulations at the molecular length scale and a novel up-scaling expression to… (More)

A new methodology for determining simultaneous chemical and phase equilibrium of mixtures of light gases and aqueous electrolyte solutions with the potential for multiple salt deposition is proposed. The novel aspects of this new approach include, but are not limited to (1) a novel tearing algorithm for determining equilibrium ion solubility limits, (2)… (More)

- Denis V. Voskov, Heath Henley, Angelo Lucia
- Computers & Chemical Engineering
- 2017

- Rustem Zaydullin, Denis V. Voskov, Scott C. James, Heath Henley, Angelo Lucia
- Computers & Chemical Engineering
- 2014

Fully compositional and thermal reservoir simulation capabilities are important in oil exploration and production. There are significant resources in existing wells and in heavy oil, oil sands, and deep-water reservoirs. This article has two main goals: (1) to clearly identify chemical engineering sub-problems within reservoir simulation that the PSE… (More)

- Heath Henley, Angelo Lucia
- 2015

In this work, constant pressure Gibbs ensemble Monte Carlo (GEMC) simulations were applied as an alternative to grand canonical Monte Carlo (GCMC) simulations to calculate gas hydrate occupancy as function of temperature and pressure. Both rigid and flexible hydrate lattice models were investigated. GEMC structure I methane hydrate occupancy results using… (More)

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