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This paper deals with an inverse problem applied to the field of building physics to experimentally estimate three sorption isotherm coefficients of a wood fiber material. First, the mathematical model, based on convective transport of…
A precise calculation that translates shifts of X-ray K-absorption edges to variations of thermodynamic properties allows quantitative characterization of interior thermodynamic properties of warm dense plasmas by X-ray absorption…
To explain grain growth and destruction in warm media, ice mantle formation and sublimation in cold media, and gas line emission spectroscopy, astrochemical models must mimic the gas--solid abundance ratio. Ice-sublimation mechanisms…
We demonstrate a technique for obtaining the density of atomic vapor, by doing a fit of the resonant absorption spectrum to a density-matrix model. In order to demonstrate the usefulness of the technique, we apply it to absorption in the…
We consider the theoretical description of a fluid adsorbed in a nanopore. Hysteresis and discontinuities in the isotherms in general hampers the determination of equilibrium thermodynamic properties, even in computer simulations. A…
Accurate absorption models for gases at high pressure and temperature support advanced optical combustion diagnostics and aid in the study of harsh planetary atmospheres. Developing and validating absorption models for these applications…
The chemical potential of adsorbed or confined fluids provides insight into their unique thermodynamic properties and determines adsorption isotherms. However, it is often difficult to compute this quantity from atomistic simulations using…
The integrating sphere (IS) is an indispensable tool for measuring transmission and scattering of materials and their colorimetry, as well as other photometric tasks. The accuracy of its data depends critically on port sizes used for…
It is shown that experimentally obtained isotherms of adsorption on solid substrates may be completely reconciled with Lifshitz theory when thermal fluctuations are taken into account. This is achieved within the framework of a…
The adsorption behavior of ions at liquid-vapor interfaces exhibits several unexpected yet generic features. In particular, energy and entropy are both minimum when the solute resides near the surface, for a variety of ions in a range of…
In this paper, we present a detailed numerical implementation of the multicomponent potential theory of adsorption which is among the most accurate gas mixtures adsorption models. The implementation uses the NIST Refprop database to…
An analytical theory is presented for the damping of low-frequency adsorbate vibrations via resonant coupling to the substrate phonons. The system is treated classically, with the substrate modeled as a semi-infinite elastic continuum and…
This work outlines the foundations for being able to do a first-principle study of the adsorption process using the steepest-entropy-ascent quantum thermodynamic (SEAQT) framework, a framework able to predict the unique non-equilibrium path…
Considering high-temperature heating, the equations of transient heat conduction model require an adaptation, i.e. the dependence of thermophysical parameters of the model on the temperature is to be identified for each specific material to…
Low-energy structures of a hybrid system consisting of a polymer and an attractive nanowire substrate as well as the thermodynamics of the adsorption transition are studied by means of Monte Carlo computer simulations. Depending on…
Studies of the transport of wet water vapour are relevant for various areas of human activity, including the construction and production of building materials, mining, agriculture, environmental safety of technological processes, scientific…
Aggregation transitions in disordered mesoscopic systems play an important role in several areas of knowledge, from materials science to biology. The lack of a thermodynamic limit in systems that are intrinsically finite makes the…
A finite-element method dependant adjoint-based procedure to determine the temperature field of structures based on measured displacements or strains and a set of standard loads is developed and tested. Given a series of force and…
The photoabsorption spectra of calcium-doped argon clusters CaAr_n are investigated at thermal equilibrium using a variety of theoretical and numerical tools. The influence of temperature on the absorption spectra is estimated using the…
We present numerical results demonstrating the possibility of thermalization of single-particle observables in a one-dimensional integrable system (a quasicondensate of ultra-cold, weakly-interacting bosonic atoms being studied as a…