High temperature-high pressure experiments on H2O-N2

Hinsberg, Mariëlle G. E. van; Verbrugge, Rob; Schonten, Jan A.

doi:10.1016/0378-3812(93)87105-a

Cited by 29 publications

(10 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As seen, the over‐all quality of the CP‐PC‐SAFT's predictions is satisfactorily accurate, while taking into account a spread of experimental points characteristic for some datasets, which evidences about the relatively high experimental uncertainties. The x 1 = 0.33 and x 1 = 0.5 isopleths of nitrogen(1)–water(2) system reported by van Hinsberg at al . and Schouten et al present a particular interest for the current study because they cover the very high pressures up to ∼6600 bar (an accuracy of the points obtained by extrapolating the higher pressures above 700 K 82 is unclear and therefore they have not been considered).…”

Section: Resultsmentioning

confidence: 99%

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

2017

View full text Add to dashboard Cite

This investigation continues a series of studies evaluating the capability of the recently proposed CP‐PC‐SAFT and sPC‐SAFT of Liang et al. to estimate the thermodynamic properties of aqueous systems in the entirely predictive manner. Similarly to the previously considered systems, CP‐PC‐SAFT remains a realistic estimator of the available data on critical loci, high pressure‐high temperature phase equilibria and volumetric properties also in the cases of non‐polar gases and non‐aromatic hydrocarbons from argon and nitrogen till n‐eicosane and squalene while keeping zero values of binary parameters. Nevertheless, such application of the model poses certain unavoidable compromises on its accuracy. Inter alia, CP‐PC‐SAFT is a particularly inaccurate estimator of the water‐rich liquid phases away from the critical points. sPC‐SAFT predicts these data in a more reliable manner. Moreover, its predictive capability goes beyond the liquid phases and it exhibits a remarkable accuracy in forecasting various phase equilibria below the critical point of water. © 2017 American Institute of Chemical Engineers AIChE J, 2017

show abstract

Section: Resultsmentioning

confidence: 99%

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

2017

View full text Add to dashboard Cite

show abstract

“…The simplest molecules for which nonadditive size interactions were studied are mixtures of hard spheres. Binary mixtures of equal-size components were studied by integral equations, 30-32 computer simulation, [33][34][35][36][37][38] and other analytical techniques. 34,35,38,39 Mixtures with unequal size components were studied by computer simulation 40 and expressions for the contact pair correlation functions and equations of state were developed.…”

Section: Introductionmentioning

confidence: 99%

Influence of monomer sequence on microstructure of nonadditive hard chain copolymers: Simulation and equation of state

Al-Sunaidi

Abu-Sharkh

2003

The Journal of Chemical Physics

View full text Add to dashboard Cite

Equation of state of a seven-dimensional hard-sphere fluid. Percus-Yevick theory and molecular-dynamics simulations Influence of copolymer structure on self-assembly of the copolymer was investigated by introducing nonadditive size interactions among different type segments in copolymers composed of touching hard spheres. The copolymer structures investigated are diblock, alternating, multiblock, and random. The copolymers were simulated using discontinuous molecular dynamics simulation. Equations of state of the different model copolymers were developed using the TPT1 theory. Diblock copolymers were found to self assemble readily at high values of the nonadditivity parameter ⌬ and at high densities. Multiblock and random copolymers self assembled to a smaller extent and the alternating copolymer self-assembled only at very high ⌬ and densities. The TPT1 equation of state provided good prediction of the compressibilities of the different copolymer systems at negative and small positive values of ⌬. Deviations between the model and simulation results were observed at high ⌬ and high densities. Deviations were associated with self-assembly of the copolymers.

show abstract

“…We also observe a phase separation between H 2 O and N 2 that has been seen previously [25][26][27][28]. Shown in figure 5 is a final snapshot of the layered ANFO shocked along the [010] direction with a steady-state shock velocity of 9 km/s after 80 ps.…”

Section: Evolution Of Temperature During Shockmentioning

confidence: 66%

Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

Thompson

Shan

2014

J. Phys.: Conf. Ser.

View full text Add to dashboard Cite

Abstract. Ammonium nitrate mixed with fuel oil (ANFO) is a commonly used blasting agent. In this paper we investigated the shock properties of pure ammonium nitrate (AN) and two different mixtures of ammonium nitrate and n-dodecane by characterizing their Hugoniot states. We simulated shock compression of pure AN and ANFO mixtures using the Multi-scale Shock Technique, and observed differences in chemical reaction. We also performed a large-scale explicit sub-threshold shock of AN crystal with a 10 nm void filled with 4.4 wt% of n-dodecane. We observed the formation of hotspots and enhanced reactivity at the interface region between AN and n-dodecane molecules.

show abstract

High temperature-high pressure experiments on H2O-N2

Cited by 29 publications

References 13 publications

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

Influence of monomer sequence on microstructure of nonadditive hard chain copolymers: Simulation and equation of state

Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

Contact Info

Product

Resources

About