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A simple molecular thermodynamic approach is applied to the study of the adsorption of gases of chain molecules on solid surfaces. We use a model based on the Statistical Associating Fluid Theory for Variable Range (SAFT-VR) potentials [A.…

Computational Physics · Physics 2010-12-23 M. Castro , R. Martinez , A. Martinez , H. C. Rosu

Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure of water overlayers on a model calcium silicate, the…

We have studied the solubilization behaviour of tributylphosphate (TBP) in aqueous solutions of L64-Pluronics, using light and small angle neutron scattering (SANS). Varying the temperature and the oil-content, the system presents a non…

Soft Condensed Matter · Physics 2010-12-07 Jeremy Causse , Julian Oberdisse , Jacques Jestin , Serge Lagerge

Understanding the phase behaviors of nanoconfined water has driven notable research interests recently. In this work, we examine the structures and thermodynamics of water encapsulated under a graphene cover. We find layered water…

Statistical Mechanics · Physics 2016-07-19 Shuping Jiao , Chuanhua Duan , Zhiping Xu

We investigated theoretically water evaporation from concentrated supramolecular mixtures, such as solutions of polymers or amphiphilic molecules, using numerical resolutions of a one dimensional model based on mass transport equations.…

Soft Condensed Matter · Physics 2017-10-25 Jean-Baptiste Salmon , Frédéric Doumenc , Béatrice Guerrier

Many of the anomalous properties of water are amplified in the deeply supercooled region. Here we present neutron scattering measurements of the density of heavy water confined in a nanoporous silica matrix MCM-41-S (\approx15 {\AA} pore…

Layered black arsenic (b-As) has recently emerged as a new anisotropic two-dimensional (2D) semiconducting material with applications in electronic devices. Understanding factors affecting the ambient stability of this material remains…

Materials Science · Physics 2022-07-07 Mayank Tanwar , Sagar Udyavara , Hwanhui Yun , Supriya Ghosh , K. Andre Mkhoyan , Matthew Neurock

Static and dynamic changes induced by adsorption of atomic hydrogen on the NiAl(110) lattice at 130 K have been examined as a function of adsorbate coverage. Adsorbed hydrogen exists in three distinct phases. At low coverages the hydrogen…

Materials Science · Physics 2009-11-07 Aubrey T. Hanbicki , P. J. Rous , E. W. Plummer

We measured the chemical composition and the size distribution of aerosols generated by femtosecond-Terawatt laser pulses in the atmosphere using an aerosol mass spectrometer (AMS). We show that nitric acid condenses in the form of ammonium…

Equilibrium molecular dynamics simulations are used to investigate the effect of phase transitions on the transport properties of highly-confined water between parallel graphene sheets. An abrupt reduction by several orders of magnitude in…

Computational Physics · Physics 2019-01-23 Frederike Jaeger , Omar K. Matar , Erich A. Müller

Adsorption is one important way applied to water decontamination, where carbon is commonly used as highly effective absorbent. Carbon of different morphologies and structures normally demonstrate distinct capabilities to adsorption-typed…

Materials Science · Physics 2017-05-02 Sun Ling

Competitive adsorption is a major challenge in understanding catalytic activity, selectivity and reaction mechanisms in confined environments such as zeolites. This study investigated competitive adsorption in MFI-type zeolites (ZSM-5)…

Understanding the adsorption of water and characterizing the water film formed within nanostructures are essential for advancements in fields such as nanofluidics, water purification, and biosensing devices. In our research, we focus on…

Arsenene, a new group V two-dimensional (2D) semiconducting material beyond phosphorene and antimonene, has recently gained an increasing attention owning to its various interesting properties which can be altered or intentionally…

In the course of our investigations of the adsorption of ions to the air-water interface, we previously reported the surprising result that doubly-charged carbonate anions exhibit a stronger surface affinity than do singly-charged…

Following a demonstration of how neutron diffraction with polarization analysis may be applied for the accurate determination of the coherent static structure factor of disordered materials containing substantial amounts of proton nuclei…

Chemical Physics · Physics 2022-01-26 László Temleitner , László Pusztai , Gabriel J. Cuello , Anne Stunault

The development of scalable, energy-efficient carbon dioxide capture technologies is critical for achieving net-zero emissions. Moisture swing sorbents offer a promising alternative to traditional thermal regeneration methods by enabling…

Water under nanoconfinement at ambient conditions has exhibited low-dimensional ice formation and liquid-solid phase transitions, but with structural and dynamical signatures which map onto known regions of waters phase diagram. Using THz…

We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…

The energy absorption on nanometer scale is vital for many bio and chemical systems. We report here that a two times amplification in absorption efficiency can be achieved by water molecules confined in carbon nanotubes with small radius,…

Mesoscale and Nanoscale Physics · Physics 2022-07-19 Rong-Yao Yang , Wei-Zhou Jiang , Pei-Ying Huo , Qi-Lin Zhang