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Chemistry

Chemical thermodynamics & chemical properties

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Displaying 1 - 25 of 284

Chemical Kinetics and Fire

December 31, 2025
Author(s)
Gregory Linteris, John Griffiths
The purpose of this chapter is to set out the principles of chemical kinetics as they apply to combustion in flames and fires. Chemical equilibrium, which was discussed in a previous chapter, deals with the final preferred state of a given set of reactants

Ionization Constant of Water

June 10, 2025
Author(s)
Hugues Arcis, Allan Harvey
This is an update of two tables in the CRC Handbook of Chemistry and Physics (for the 106th ed.) to reflect a new standard formulation adopted in 2024 by the International Association for the Properties of Water and Steam (IAPWS).

An Autonomous Agent for Soft Material Structural Optimization and Discovery

June 6, 2025
Author(s)
Tyler Martin, Austin McDannald, Aaron Kusne, Peter Beaucage
The pace of formulation (re)development and design is rapidly increasing as both consumers and new legislation demand products that do less harm to the environment while maintaining high standards of performance. To meet this need, we have developed an

The Role of Cu+3 in Oxygen Evolution Activity of Copper-Oxides

May 1, 2025
Author(s)
Pooja Basera, Yang Zhao, Angel Garcia-Esparza, Finn Babbe, Neha Bothra, John Vinson, Dimosthenis Sokaras, Junko Yano, Shannon Boettcher, Michal Bajdich
Cu-based oxides and hydroxides represent an important class of materials from a catalytic and corrosion perspective. In this study, we investigate the formation of bulk and surface Cu+3 species stable under water oxidation catalysis in alkaline media. So

Development of SAFT-based coarse-grained models of carbon dioxide and nitrogen

March 21, 2025
Author(s)
Alexandros Chremos, William P. Krekelberg, Harold Hatch, Daniel Siderius, Nathan Mahynski, Vincent Shen
We develop coarse-grained models for carbon dioxide (CO2 ) and nitrogen (N2 ) that capture the vapor-liquid equilibria of their single components and their binary mixtures over a wide range of temperatures and pressures. To achieve this, we used an

Compressed liquid density and speed of sound measurements and correlation of the binary mixture carbon dioxide (CO2) + 1,1-difluoroethene (R1132a)} at temperatures from 220 K to 350 K

January 22, 2025
Author(s)
Davide Menegazzo, Aaron Rowane, Giulia Lombardo, Sergio Bobbo, Laura Fedele, Mark McLinden
The combination of carbon dioxide (CO2) and R1132a has been proposed as a viable substitute for R23 in low-temperature applications. This study provides new experimental data on the compressed-liquid density, vapor density, and compressed-liquid speed of

Random and systematic uncertainty in ship-based seawater carbonate chemistry observations

September 8, 2024
Author(s)
Brendan Carter, Jonathan Sharp, Maribel I. Garcia-Ibanez, Ryan J. Woosley, Michael Fong, Marta Alvarez, Leticia Barbero, Simon Clegg, Regina Easley, Andrea Fassbender, Xinyu Li, Katelyn Schockman, Zhaohui Aleck Wang, Andrew Dickson
Seawater carbonate chemistry observations are increasingly necessary to study a broad array of oceanographic challenges such as ocean acidification, carbon inventory tracking, and assessment of marine carbon dioxide removal strategies. As a result, efforts

Optical n(p, T_90) measurement suite 3: results at l = 1542 nm

August 3, 2024
Author(s)
Patrick Egan, Yuanchao Yang
Single-isotherm n(p, T90) results are reported for the gases Ar, N2, H2O, and D2O at vacuum wavelength λ = 1542.383(1) nm. The argon and nitrogen isotherms were measured near 303 K; the water isotherms were measured near 373 K. Combined with the two

Orthogonal Determination of Competing Surfactant Adsorption onto Single-Wall Carbon Nanotubes During Aqueous Two-Polymer Phase Extraction via Fluorescence Spectroscopy and Analytical Ultracentrifugation

July 31, 2024
Author(s)
Christopher Sims, Jeffrey Fagan
A combination of analytical ultracentrifugation (AUC) and fluorescence spectroscopy are utilized to orthogonally probe compositions of adsorbed surfactant layers on the surface of (7,5) species single-wall carbon nanotubes (SWCNTs) under conditions known

Index of Refraction of Liquid Water

May 1, 2024
Author(s)
Allan H. Harvey
This is an item for the CRC Handbook of Chemistry and Physics (105th ed.), giving values calculated from the IAPWS formulation for the refractive index.

Melting Points and Boiling Points for the Alkali Metals

February 29, 2024
Author(s)
Nikhila Narayana, Donald R. Burgess Jr.
In this work, we compiled, evaluated, and select recommended values for use for the melting points and boiling points of the alkali metals: lithium (Li), sodium (Na), potassium (K), rubidium (Rb), cesium (Cs), and francium (Fr). Here we provide all of the

Self-Diffusion and Binary-Diffusion Coefficients in Gases

February 29, 2024
Author(s)
Donald R. Burgess Jr.
In this work, we compiled and evaluated both self-diffusion and binary-diffusion coefficients D for gases as a function of temperature. In this paper, we provide recommended values for the diffusion coefficients at standard room temperature 298.15 K (D298)

Heats of Combustion and Related Properties of Pure Substances

December 5, 2023
Author(s)
Donald R. Burgess Jr., Anthony Hamins
In this work, we compiled and evaluated various properties pertaining to the heats of combustion of about 420 compounds of physical, chemical, and engineering interest. This includes boiling points, melting points, latent heats (enthalpies) of vaporization
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