Concept

Heat capacity ratio

Related publications (194)

The Investigation of Flory-Huggins Interaction Parameters for Amorphous Solid Dispersion Across the Entire Temperature and Composition Range

Amorphous solid dispersion (ASD) is one of the most promising enabling formulations featuring significant water solubility and bioavailability enhancements for biopharmaceutical classification system (BCS) class II and IV drugs. An accurate thermodynamic u ...

2019

Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective

Venkat Kapil

Thermal engineering of metal-organic frameworks for adsorption-based applications is very topical in view of their industrial potential, in particular, since heat management and thermal stability have been identified as important obstacles. Hence, a fundam ...

AMER CHEMICAL SOC2019

Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations

Michele Ceriotti, Venkat Kapil

Metal–organic frameworks show both fundamental interest and great promise for applications in adsorption-based technologies, such as the separation and storage of gases. The flexibility and complexity of the molecular scaffold pose a considerable challenge ...

2019

Orb5: A global electromagnetic gyrokinetic code using the PIC approach in toroidal geometry

Laurent Villard, Stephan Brunner, Emmanuel Lanti, Alberto Bottino, Sébastien Jolliet, Ben McMillan, Paolo Angelino, Julien Stanislas Pierre Dominski, Thibaut Vernay, Noé Thomas Elie Ohana, Claudio Gheller, Aaron Lewis Scheinberg

This paper presents the current state of the global gyrokinetic code Orb5 as an update of the previous reference (Jolliet et al., 2007). The Orb5 code solves the electromagnetic Vlasov–Maxwell system of equations using a PIC scheme and also includes collis ...

2019

Antiferroelectric antiferromagnetic type-I multiferroic Cu9O2(SeO3)(4)Cl-6

Helmuth Berger, Wei Li

We report that Cu9O2(SeO3)(4)Cl-6 is a new multiferroic compound. Comprehensive studies of this compound have been carried out on single crystals as well as polycrystalline samples. Magnetic susceptibility chi and specific heat C with H parallel to c axis ...

AMER PHYSICAL SOC2019

110th Anniversary: From Solubility Parameters to Predictive Equation-of-State Modeling

Vassily Hatzimanikatis

A simple predictive molecular thermodynamic model for bulk phases and interfaces is presented. The model combines features of the quantitative structure-property relationships (QSPR) approach, the equation-of-state approach, and quantum-chemical calculatio ...

AMER CHEMICAL SOC2019

Semi-Rigidity of Through-Tenon Joints under Tension and Shear Loads and Perpendicular-to-Grain Compression

Yves Weinand, Aryan Rezaei Rad, Anh Chi Nguyen

This report presents the results of experimental tests performed on through-tenon joints used in double-layered and double-curved timber plate shells recently developed. Three tests were carried out to determine the semi-rigidity of these wood-wood connect ...

Laboratory for Timber Constructions IBOIS2019

Observation of charge-transfer-driven antiferroelectricity in 3d-pyrochlore multiferroic Cu2OCl2

Helmuth Berger, Wei Li

Very recently, multiferroic behavior close to the boiling temperature of liquid nitrogen was reported in oxohalide-based Cu2OCl2. In this study, we have established yet another novel mechanism for the origin of charge ordering in multiferroic Cu2OCl2. The ...

ELSEVIER SCIENCE BV2019

Mechanical Model for Drift-Induced Punching of Slab-Column Connections without Transverse Reinforcement

Aurelio Muttoni, Katrin Beyer, Ioannis Sokratis Drakatos

A mechanical model is presented for predicting the momentrotation relationship of interior slab-column connections without transverse reinforcement when subjected to seismically induced drifts. The model accounts explicitly for the three load-transfer acti ...

2018

Parameters affecting thermal risk through a kinetic model under adiabatic condition: Application to liquid-liquid reaction system

Thierry Meyer

Risk of thermal runaway for epoxidation is not negligible and should be analyzed and assessed. In industry, epoxidation of vegetable oils is carried out by the oxidation of Prileschajew, involving the in situ production of percarboxylic acid from hydrogen ...

2018

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