Reactive force field development for magnesium chloride hydrates and its application for seasonal heat storage

A DFT-based comparative equilibrium study of thermal dehydration and hydrolysis of CaCl2 hydrates and MgCl2 hydrates for seasonal heat storage

(2016) Amar Deep Pathak et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Revisiting the BaO2/BaO redox cycle for solar thermochemical energy storage

(2016) A. J. Carrillo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Efficient global optimization of reactive force-field parameters

(2015) Mark Dittner et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Water Transport in MgSO4·7H2O During Dehydration in View of Thermal Storage

(2015) P. A. J. Donkers et al.   Journal of Physical Chemistry C

The latest advancements on thermochemical heat storage systems

(2015) Devrim Aydin et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

A systematic multi-step screening of numerous salt hydrates for low temperature thermochemical energy storage

(2014) Kokouvi Edem N’Tsoukpoe et al.   APPLIED ENERGY

Solar Energy Storage in Phase Change Materials: First-Principles Thermodynamic Modeling of Magnesium Chloride Hydrates

(2014) Philippe F. Weck et al.   Journal of Physical Chemistry C

Scaling behaviour for the water transport in nanoconfined geometries

(2014) Eliodoro Chiavazzo et al.   Nature Communications

Reactive Potentials for Advanced Atomistic Simulations

(2013) Tao Liang et al.   Annual Review of Materials Research

A DFT based equilibrium study on the hydrolysis and the dehydration reactions of MgCl2 hydrates

(2013) B. Smeets et al.   JOURNAL OF CHEMICAL PHYSICS

Parameterization of a reactive force field using a Monte Carlo algorithm

(2013) E. Iype et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Parameterization of Reactive Force Field: Dynamics of the [Nb6O19Hx](8–x)– Lindqvist Polyoxoanion in Bulk Water

(2013) Alexey L. Kaledin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular dynamics study on thermal dehydration process of epsomite (MgSO4·7H2O)

(2013) Huaichen Zhang et al.   MOLECULAR SIMULATION

A review of available technologies for seasonal thermal energy storage

(2013) J. Xu et al.   SOLAR ENERGY

DFT Study on Characterization of Hydrogen Bonds in the Hydrates of MgSO4

(2012) Eldhose Iype et al.   Journal of Physical Chemistry C

Study of magnesium chloride hexahydrate as heat storage material

(2012) Radim Pilar et al.   THERMOCHIMICA ACTA

One thousand thermal cycles of magnesium chloride hexahydrate as a promising PCM for indoor solar cooking

(2011) A.A. El-Sebaii et al.   ENERGY CONVERSION AND MANAGEMENT

Thermal decomposition mechanisms of MgCl2·6H2O and MgCl2·H2O

(2011) Qiongzhu Huang et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

Fast thermal cycling of acetanilide and magnesium chloride hexahydrate for indoor solar cooking

(2009) A.A. El-Sebaii et al.   ENERGY CONVERSION AND MANAGEMENT

Parametrization of a reactive force field for aluminum hydride

(2009) J. G. O. Ojwang et al.   JOURNAL OF CHEMICAL PHYSICS

A review on long-term sorption solar energy storage

(2009) K. Edem N’Tsoukpoe et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Modeling the sorption dynamics of NaH using a reactive force field

(2008) J. G. O. Ojwang et al.   JOURNAL OF CHEMICAL PHYSICS

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development and Application of a ReaxFF Reactive Force Field for Oxidative Dehydrogenation on Vanadium Oxide Catalysts

(2008) Kimberly Chenoweth et al.   Journal of Physical Chemistry C

A reactive force field (ReaxFF) for zinc oxide

(2008) David Raymand et al.   SURFACE SCIENCE