New Static Apparatus and Vapor Pressure of Reference Materials:  Naphthalene, Benzoic Acid, Benzophenone, and Ferrocene

Monte, Manuel J.S.; Santos, Luı́s M. N. B. F.; Fulem, Michal; Fonseca, and José M. S.; Sousa, Carlos A. D.

doi:10.1021/je050502y

Cited by 159 publications

(128 citation statements)

References 55 publications

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“…The Clarke-Glew equation has been used in various works for many other types of processes, for example, research on solubility [13] and phase balances [14,15].…”

Section: Significance Of Heat Capacity For the Reaction Processmentioning

confidence: 99%

Thermal dissociation in terms of the second law of chemical thermodynamics

Mianowski

Urbańczyk

2016

J Therm Anal Calorim

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Starting from the relationship between Gibbs free energy and equilibrium constant of a chemical reaction (ECCR) and taking into account its temperature dependence according to Kirchhoff, Eq. (12), we arrive at the three-parametric Eq. (26). In going this way, we employ the relationship between the ECCR and the degree of conversion of the solid phase using Eqs. (20) and (21). We find that there is a compensating effect between the coefficients of the equation (i.e., a 1 ; a 2 ) in the form of a linear equation, which has been attributed to the enthalpy-entropy compensation. According to current state of knowledge, this result applies both to the chemical reactions resulting in individual chemical bond formation as well as in thermal decomposition. When the heat capacity of such chemical reactions decreases linearly along with temperature, it can adopt the value of the (arithmetic mean) average, and the negative sign determines the elements of the functional equations valid for theoretical (Eq. 26) and experimentally fit (Eq. 32) states. For calcite, several possibilities arising from equilibrium changes in the conversion rate vs. temperature are compared by taking into account the CDV L'vov theory.

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“…The Clarke-Glew equation has been used in various works for many other types of processes, for example, research on solubility [13] and phase balances [14,15].…”

Section: Significance Of Heat Capacity For the Reaction Processmentioning

confidence: 99%

Thermal dissociation in terms of the second law of chemical thermodynamics

Mianowski

Urbańczyk

2016

J Therm Anal Calorim

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“…The thermal proprieties of PGDN were highlighted by using the methods of differential scanning calorimetry (DSC) and thermal gravimetrymass spectrometry (TG/MS). Generally, the technique used to assess the vapour pressure depends on the volatility of the target compound; a few studies have tried to estimate the vapour pressure of some explosives using several techniques [7][8][9] (chromatography, dynamic thermal analysis etc.). In our case, TGA could be a good candidate for the estimation of the vapour pressure of PGDN.…”

Section: Taggant Agents Detonation Taggantsmentioning

confidence: 99%

Propylene Glycol Dinitrate (PGDN) as an Explosive Taggant

Fettaka¹,

Lefebvre²

2016

Cent. Eur. J. Energ. Mater.

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Propylene Glycol Dinitrate (PGDN) is a liquid nitrate ester explosive which has been used as a gelatinating agent in some energetic formulations. The aim of the present work was to assess whether PGDN could be used as a detection taggant. The PGDN was synthesized in the laboratory using laboratory grade propylene glycol (PG). The purity of the synthesized PGDN was assessed using gas chromatography-mass spectrometry (GC/MS) and Fourier transform infrared spectroscopy (FTIR). A study of the thermal decomposition of PGDN was carried out using both DSC and thermogravimetry-mass spectrometry analysis (TG/MS) methods. The gases produced during thermal decomposition were identified by mass spectrometry and the influence of the heating rate was investigated. The duality of DSC-TGA was highlighted by studying the complementarity between these two methods. Vapour pressure and enthalpy of vaporisation of PGDN were considered as the foremost taggant characteristics, and were estimated using TGA and taking benzoic acid as the reference. The vapour pressure of PGDN at ambient temperature is 2.54 Pa, therefore the PGDN could be a good candidate as a detection taggant compared to other explosive taggants (Nitroglycerin, EGDN, DMNB and PDCB).

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“…In order to demonstrate that the ferrocene molecules are loaded inside the MOF pores and to rule out that the signal detected in the elemental analysis results from small ferrocene particles nucleated at the outer surface of the MOF powder particles we have carried out PXRD-studies. The loading of ferrocene into 1 and 2 dried bulk powders was done inside a closed dome, under an overall pressure of 1 atmosphere (the partial vapor pressure of ferrocene at 293 K amounts to 1 Pa. [9]) and was monitored by PXRD as shown in Figure 1. After exposing to ferrocene vapor, we observe an overall reduction in the relative intensities of the diffraction peaks.…”

Section: Loading Of Ferrocene In [Cu 2 (Bdc) 2 (Dabco)] (1) and [Cu 2mentioning

confidence: 99%

“…The vapor pressure of ferrocene at 293 K amounts to 1 Pa [9]. The loading of ferrocene inside the frameworks was followed over 24 h by PXRD.…”

Section: Kinetic Studiesmentioning

confidence: 99%

Loading of Two Related Metal-Organic Frameworks (MOFs), [Cu2(bdc)2(dabco)] and [Cu2(ndc)2(dabco)], with Ferrocene

et al. 2011

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Abstract:We have studied the loading of two related, similar porous metal-organic frameworks (MOFs) [Cu 2 (bdc) 2 (dabco)] (1), and [Cu 2 (ndc) 2 (dabco)] (2) with ferrocene by exposing bulk powder samples to the corresponding vapor. On the basis of powder X-ray diffraction data and molecular dynamics (MD) calculations we propose that each pore can store one ferrocene molecule. Despite the rather pronounced similarity of the two MOFs a quite different behavior is observed, for 1 loading with ferrocene leads to an anisotropic 1% contraction, whereas for 2 no deformation is observed. Mössbauer spectroscopy studies reveal that the Fe oxidation level remains unchanged during the process. Time dependent studies reveal that the diffusion constant governing the loading from the gas-phase for 1 is approximately three times larger than the value for 2. OPEN ACCESSPolymers 2011, 3 1566

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New Static Apparatus and Vapor Pressure of Reference Materials: Naphthalene, Benzoic Acid, Benzophenone, and Ferrocene

Cited by 159 publications

References 55 publications

Thermal dissociation in terms of the second law of chemical thermodynamics

Thermal dissociation in terms of the second law of chemical thermodynamics

Propylene Glycol Dinitrate (PGDN) as an Explosive Taggant

Loading of Two Related Metal-Organic Frameworks (MOFs), [Cu2(bdc)2(dabco)] and [Cu2(ndc)2(dabco)], with Ferrocene

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