Water uptake coefficients and deliquescence of NaCl nanoparticles at atmospheric relative humidities from molecular dynamics simulations

Bahadur, Ranjit Prasad; Russell, Lynn M.

doi:10.1063/1.2971040

Cited by 30 publications

(41 citation statements)

References 58 publications

(64 reference statements)

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“…Perovskite materials are a large family of crystalline or amorphous ceramics which are of practical importance, due to their dielectric, piezoelectric, ferroelectric, and mechanical properties. Onekeymember of this perovskite family is lead titanate (PbTiO 3 ) [17], which have attracted attention, because of its potential application in areas such as dynamic access memory, electro-optical devices, and sensors and actuators [18]. These materials differ from both the pure polymers and the inorganic nanoparticles in some of the physical and chemical properties.…”

Section: Introductionmentioning

confidence: 99%

Surface Modified ${\rm CaTiO}_{3}$ Loaded in Polyaniline by Sodium Dodecyl Benzene Sulphonic Acid for Humidity Sensor

Parveen¹,

Koppalkar

Roy

2012

IEEE Sensors J.

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Polyaniline-CaTiO 3 nanocomposites with their various weight percentages were prepared by chemical oxidative in situ polymerization technique. The prepared composites were characterized by Fourier transform infrared spectroscopy, scanning electronic microscope, and X-ray diffraction. The temperature-dependent dc conductivity of polyaniline-CaTiO 3 nanocomposite was studied within the range of 40-200°C and found that 50 wt% shows high conductivity compared to other composites. Humidity sensor properties of polyaniline-CaTiO 3 nanocomposite show better sensing properties and exhibit good linearity in sensing response curve, which discuss the implications of distortions and nonstoichiometry on their physical properties. Among all composites, 50 wt% of polyaniline-CaTiO 3 nanocomposites show high sensitivity up to ∼90% and their response-recovery times are 500 and 453 s, respectively.

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Section: Introductionmentioning

confidence: 99%

Surface Modified ${\rm CaTiO}_{3}$ Loaded in Polyaniline by Sodium Dodecyl Benzene Sulphonic Acid for Humidity Sensor

Parveen¹,

Koppalkar

Roy

2012

IEEE Sensors J.

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“…13 Smaller particles also tend to interact with gases differently than do bulk solids; for example, at 298 K bulk NaCl deliquesces at 75% relative humidity (RH), but for particles smaller than B40 nm, the deliquescence RH increases, as does the efflorescence RH. [33][34][35][36][37][38][39][40][41][42][43] Second, the chemical composition of individual particles can vary significantly, even within one air mass. Before the advent of techniques for single particle analysis, it was uncertain if airborne particles were ''externally'' or ''internally'' mixed, i.e., whether an ensemble of particles in air consisted of individual particles with single components or whether each particle contained a mixture.…”

Section: Introductionmentioning

confidence: 99%

Reactions at surfaces in the atmosphere: integration of experiments and theory as necessary (but not necessarily sufficient) for predicting the physical chemistry of aerosols

Finlayson-Pitts

2009

Phys. Chem. Chem. Phys.

229

272

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“…68 However, for particles larger than 20 nm, this effect is relatively small and quantitatively predictable from bulk thermodynamics properties. 86,87 The Kelvin correction factor for the IL nanoparticles was estimated using surface tension versus water content measurements from Rilo et al 85 For the ∼27 nm nanoparticles, the anticipated reduction in χ w compared to bulk is less than 5% for [ From the ATR-FTIR measurements, χ w in the IL film exposed to water vapor can be estimated by comparing the relative areas of the C−H and O−H stretching vibrations. We calibrated this method by recording the ATR-FTIR spectra of premixed aqueous solutions of ILs of known composition.…”

Section: ■ Introductionmentioning

confidence: 99%

Interaction of Water Vapor with the Surfaces of Imidazolium-Based Ionic Liquid Nanoparticles and Thin Films

et al. 2012

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Understanding the interactions of humid air with ionic liquids (ILs) is critical for predicting how their physicochemical properties are affected by water. Using experimental and theoretical techniques, water vapor's interaction with aerosolized nanoparticles and thin films of [C 2 MIM][Cl] and [C 2 MIM][BF 4 ] was studied. Solutions were electrosprayed to produce dry particles. Particles' hygroscopic growth was quantified using tandem nanodifferential mobility analysis as a function of relative humidity (RH). This is the first report of the interaction of water with aerosolized IL nanoparticles. The particles' small size allows true IL−water vapor equilibrium achieved quickly. Growth curves for both ILs show steady water uptake with increasing RH. Water vapor uptake by IL thin films was also examined using ATR-FTIR spectroscopy. . They represent a large class of molecules that have unique and widely tunable physical and chemical properties. 1−3 For example, there is a significant interest in the use of ILs in green chemistry, 2,4,5 due to their negligible vapor pressure at room temperature, 6 and for many other applications including solvents in synthesis and catalysis, 1,6 chemical extraction, 1,2,5 and fuel cells. 7 Physical properties such as conductivity, viscosity, density, and surface tension of ILs are known to depend on the presence of water, both adsorbed and absorbed. 3,8 Water is ubiquitous in the environment, and hygroscopic ILs such as those with imidazolium-based cations can uptake significant amounts of water vapor from ambient air, which alters their physical and chemical properties. 1,3 Thus, quantification of water uptake by hygroscopic ILs and understanding how the presence of water affects the nature of the ion−ion and ion−water interactions are critical for use of ILs in future applications. 8−14 Numerous experimental and theoretical studies have investigated the interaction of imidazolium-based ILs with water. 3,8−35 It is understood that both the cation and the anion have an effect on how ILs interact with water, with the anion having a stronger effect. 3,17,19 Early experimental work by Seddon et al. investigated the miscibility of water with ILs containing 1-nalkyl-3-methylimidazolium ([C n MIM + ], n = number of carbons on the linear alkyl chain) cations and various anions at room temperature. 3 It was determined that, regardless of the alkyl chain length, all halide anions were fully soluble in water and all hexafluorophosphate ([PF 6 − ]) anions were insoluble. 3 However, alkyl chain length did have an effect on water miscibility of [C n MIM + ]-based ILs with tetrafluoroborate ([BF 4 − ]) anions; for chain lengths of n = 2 or 4, the ILs were fully miscible, but for n > 4, the ILs formed biphasic systems. 3 Cammarata et al. performed early attenuated total reflection (ATR) infrared (IR) studies on the molecular states of water

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Water uptake coefficients and deliquescence of NaCl nanoparticles at atmospheric relative humidities from molecular dynamics simulations

Cited by 30 publications

References 58 publications

Surface Modified ${\rm CaTiO}_{3}$ Loaded in Polyaniline by Sodium Dodecyl Benzene Sulphonic Acid for Humidity Sensor

Surface Modified ${\rm CaTiO}_{3}$ Loaded in Polyaniline by Sodium Dodecyl Benzene Sulphonic Acid for Humidity Sensor

Reactions at surfaces in the atmosphere: integration of experiments and theory as necessary (but not necessarily sufficient) for predicting the physical chemistry of aerosols

Interaction of Water Vapor with the Surfaces of Imidazolium-Based Ionic Liquid Nanoparticles and Thin Films

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