Purely predictive method for density, compressibility, and expansivity for hydrocarbon mixtures and diesel and jet fuels up to high temperatures and pressures

This study presents a pseudo-component method using the Perturbed-Chain Statistical Associating Fluid Theory to predict density, isothermal compressibility, and the volumetric thermal expansion coefficient (expansivity) of hydrocarbon mixtures and diesel and jet fuels. The model is not fit to experimental density data but is predictive to high temperatures and pressures using only two calculated or measured mixture properties as inputs: the number averaged molecular weight and hydrogen to carbon ratio. Mixtures are treated as a single pseudo-component; therefore binary interaction parameters are not needed. Density is predicted up to 470 K and 3,500 bar for hydrocarbon mixtures and fuels with 1% average mean absolute percent deviation (MAPD). Isothermal compressibility is predicted with 4% average MAPD for hydrocarbon mixtures and 9% for fuels. The volumetric thermal expansion coefficient is predicted with 7% average MAPD for hydrocarbon mixtures and 13% for fuels

CFD simulation of pseudo-diesel injections at high-load conditions employing the PC-SAFT EoS and VLE calculations

The molecular-based Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state (EoS) iscoupled with Vapor-Liquid Equilibrium (VLE) calculations in a density-based solver of the Navier-Stokes equations to perform multicomponent two-phase simulations of Diesel injections at high-pressure conditions. The PC-SAFTEoS requires three parameters, which can be fitted to experimental data or calculated using group contribution methods,to model the properties of a specific component. Therefore, there is no need for extensive model calibration, as is typically the case when the NIST library is utilised. PC-SAFT can flexibly handle the thermodynamic propertiesof multi-component mixtures for which the NIST (REFPROP) library supports only limited component combinations. Moreover, complex hydrocarbon mixtures can be modelled as a single pseudo-component knowing its number averaged molecular weight and the hydrogen-to-carbon ratio. One and two-dimensional simulations areincluded to demonstrate the multidimensional, multispecies and multiphase capability of the numerical framework

Fluid properties at high pressures and temperatures: Experimental and modelling challenges

Thermophysical properties impact many aspects of the chemical process industries. Here three example areas, primarily in the energy sector, are highlighted to provide context for the experimental and modelling challenges associated with obtaining fluid property data at high pressures and temperatures (HPHT). These three areas include the recovery of petroleum reserves in ultra-deep reservoirs, the use of lubricants to reduce frictional losses in the automotive industries, and the use of high-pressure, common rail diesel fuel delivery to reduce soot emissions for greener environments. The accurate knowledge of thermodynamic and transport properties in these three focused areas minimizes associated operating uncertainties and accelerates safe, reliable, and robust process and product development

Effect of Composition, Temperature, and Pressure on the Viscosities and Densities of Three Diesel Fuels

In this work, a Rolling-Ball Viscometer/Densimeter is used to measure high-pressure, hightemperature (HPHT) density and viscosity data from 298.2 to 532.6 K and pressures up to 300.0 MPa for three different diesel fuels. The densities and viscosities have combined expanded uncertainties of 0.6% and 2.5%, respectively, with a coverage factor, k = 2. Two of the diesels, Highly Paraffinic (HPF) and Highly Aromatic (HAR), contain a larger paraffinic and aromatic content relative to the others, and are standard engine test fuels. The third is a Ultra-Low Sulfur Diesel (ULSD) that resembles an unfinished commercial diesel. Detailed compositional information is also reported for each diesel that provides a basis for interpreting the impact of composition on density and viscosity at high pressures. Both density and viscosity data are correlated to Tait-type equations with uncertainties of 0.6% and 4.0%, respectively. The Tait equations provide a facile means to compare observed differences in the density-pressure and viscosity-pressure profiles of the three different diesels. Density data are modeled with the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state (EoS) with pure component parameters calculated representing diesel as a single, pseudo-component only requiring average molecular weight (Mave) and hydrogen to carbon ratio (RH/C) as inputs. Viscosity data are modeled reasonably well using entropy scaling coupled with the PC-SAFT EoS and information on the diesel Mave and RH/C. The HPHT viscosity data are also modeled reasonably well with Free Volume Theory (FVT) with model parameters correlated to Mave and RH/C

Microstructural evolution in solution heat treatment of gas- atomised Al alloy (7075) powder for cold spray

Cold gas dynamic spray is being explored as a repair technique for high-value metallic components, given its potential to produce pore and oxide-free deposits of between several micrometers and several millimeters thick with good levels of adhesion and mechanical strength. However, feedstock powders for cold spray experience rapid solidification if manufactured by gas atomization and hence can exhibit non-equilibrium microstructures and localized segregation of alloying elements. Here, we used sealed quartz tube solution heat treatment of a precipitation hardenable 7075 aluminum alloy feedstock to yield a consistent and homogeneous powder phase composition and microstructure prior to cold spraying, aiming for a more controllable heat treatment response of the cold spray deposits. It was shown that the dendritic microstructure and solute segregation in the gas-atomized powders were altered, such that the heat-treated powder exhibits a homogeneous distribution of solute atoms. Micro-indentation testing revealed that the heat-treated powder exhibited a mean hardness decrease of nearly 25% compared to the as received powder. Deformation of the powder particles was enhanced by heat treatment, resulting in an improved coating with higher thickness (* 300 lm compared to * 40 um for untreated feedstock). Improved particle–substrate bonding was evidenced by formation of jets at the particle boundaries

Complex hydrides for hydrogen storage - New perspectives

Since the 1970s, hydrogen has been considered as a possible energy carrier for the storage of renewable energy. The main focus has been on addressing the ultimate challenge: eveloping an environmentally friendly successor for gasoline. This very ambitious goal has not yet been fully reached, as discussed in this review, but a range of new lightweight hydrogen-ontaining materials has been discovered with fascinating properties. State-of-the-art and future perspectives for hydrogen-containing solids will be discussed, with a focus on metal borohydrides, which reveal significant structural flexibility and may have a range of new interesting properties combined with very high hydrogen densities

Human germline heterozygous gain-of-function STAT6 variants cause severe allergic disease

sharma et al. define a new primary atopic disorder caused by heterozygous gain-of-function variants in STAT6. this results in severe, early-onset allergies, and is seen in 16 patients from 10 families. Anti-IL-4R & alpha; antibody and JAK inhibitor treatment were highly effective.STAT6 (signal transducer and activator of transcription 6) is a transcription factor that plays a central role in the pathophysiology of allergic inflammation. we have identified 16 patients from 10 families spanning three continents with a profound phenotype of early-life onset allergic immune dysregulation, widespread treatment-resistant atopic dermatitis, hypereosinophilia with esosinophilic gastrointestinal disease, asthma, elevated serum IgE, IgE-mediated food allergies, and anaphylaxis. the cases were either sporadic (seven kindreds) or followed an autosomal dominant inheritance pattern (three kindreds). all patients carried monoallelic rare variants in STAT6 and functional studies established their gain-of-function (GOF) phenotype with sustained STAT6 phosphorylation, increased STAT6 target gene expression, and T(H)2 skewing. Precision treatment with the anti-IL-4R & alpha; antibody, dupilumab, was highly effective improving both clinical manifestations and immunological biomarkers. this study identifies heterozygous GOF variants in STAT6 as a novel autosomal dominant allergic disorder. We anticipate that our discovery of multiple kindreds with germline STAT6 GOF variants will facilitate the recognition of more affected individuals and the full definition of this new primary atopic disorder