1-D combustion tube in-situ combustion (ISC) simulation experiment has been performed on a natural bitumen bearing core. Five ISC zones were distinguished on the basis of the temperature filed and oil saturation analysis of the experiment. A suite of six oil sand residues at different locations after ISC simulation (initial, oil bank, condensation, coking, combustion zone and burned zone, respectively)

In this work, the solubility data of empagliflozin in nine pure solvents and one binary solvent were measured by dynamic method at the temperature ranging from 278.15 K to 313.15 K. The results showed that the solubility data of empagliflozin in all measured solvents increased with the increasing of temperature. Besides, the NRTL model, the modified Apelblat equation and the λh equation were used to

Carbonated water flooding (CWF) appears to be an important means in enhanced oil recovery (EOR) in carbonate reservoirs. While a few CWF coreflooding experiments have been done to reveal the controlling factor(s) behind incremental oil recovery, few has examined the impact of calcite dissolution on the contribution of the proposed mechanisms, and fewer have looked beyond the impact of calcite dissolution

In the study, the mole fraction solubility of bifenthrin in pure solvents (methanol, ethanol, isopropanol, and cyclohexane) and binary solvents (methanol + ethanol, methanol + isopropanol and ethanol + isopropanol) at atmospheric pressure from T = (293.15 to 328.15) K was measured via a gravimetric method. The results show that the solubility of bifenthrin in the selected solvents increased with the

In this paper, an experimental investigation is carried out on internal convective heat transfer of SiO2/water nanofluids in a copper tube for a fully turbulent regime. Nusselt number and convective heat transfer coefficients of nanofluid at three different volumetric concentration (0.001%, 0.003%, 0.007%) of nanoparticles were estimated. Local convective heat transfer coefficient at different locations

In the current paper, the rheological behavior of MWCNTs-TiO2/EG hybrid nanofluid was examined. The well-known two-step method was employed to scatter the nano-powder into the ethylene glycol (EG). The dispersed nano-powder consisted of 80 Vol% of TiO2 and 20 Vol% of MWCNTs. The viscosity measurements were performed at the temperatures ranging from 25 to 55 °C and various solid volume fractions of

A process concept for separation of hydrophobic compounds tuned by aqueous ionic liquid was developed and demonstrated by two typical cases, namely extractive desulfurization of fuel and separation of detergent range alcohol-alkane mixture. The ionic liquid tetrabutylphosphonium bromide (TBPB) and water, which present opposite interactions with hydrophobic solutes, were used to tune the separation

The impact of confinement imposed by cylindrical pores of alumina matrix on the molecular dynamics and phase behavior of BBOA liquid crystal was examined by a combination of Broadband Dielectric Spectroscopy (BDS), Differential Scanning Calorimetry (DSC) and Fourier-Transform Infrared Spectroscopy (FTIR) methods. The phase transition temperatures as a function of inverse pore diameter show linear dependence

The structures arising in mixed colloidal solutions of anionic surfactant dodecylbenzenesulfonic acid (DBSA) and neutral poly(ethylene glycol) (PEG) polymer in water for a wide range of concentrations and different molecular masses of the polymer were studied by small-angle neutron scattering (SANS) and dynamic light scattering (DLS). The micellization behavior of the system near the critical micelle

A series of experiments were carried out to investigate the effect of ullage height, i.e. the distance between fuel surface and the pool upper rim, on flame characteristics of heptane and ethanol pool fires. The pool diameters included 10 cm, 15 cm, and 20 cm. For each pool, ullage height was increased from zero to the value that the flame self-extinguished. During each test, the ullage height was

Emissions of soot particles exert crucial impact on human health and the environment. Previous researches show that a partial replacement of fossil fuels with oxygenated fuels is supposed to reduce soot emission. However, the crucial information of soot size distributions is unclear, although small particles are more dangerous than large particles. In this paper, dimethyl ether (DME) is selected among

Abstract Three-dimensional Direct Numerical Simulation (DNS) data of statistically planar turbulent spray flames propagating into mono-disperse droplets for different values of droplet diameter ad and droplet equivalence ratio ϕd has been used to analyse the statistical behaviour of the fuel mass fraction dissipation rate \( \overset{\sim }{\upvarepsilon_Y} \) and its transport in the context of Reynolds

The dipole and generalized oscillator strengths (DOS and GOS) of the free and confined atomic system are related to the description of several interesting chemical physical properties, e.g. static polarizability, photoionization, and stopping cross section (energy loss), among others. In this work, we show results for the 3s→3p,4p DOS electronic transition, the 3s→4s,5s,6s, and the 3s→3p,4p,5p GOS

Even though the core–shell nanomaterials were reported as the most efficient up-conversion materials to achieve the energy migration, the light transmission mechanism in core-shell heterostructure and the energy loss induced by multilayer shells have not been studied. In this work, we report the admittance recursive method to simulate the transmission process of TE and TM waves and calculate the light

Thermal decomposition behavior and decomposition mechanism of diisopropyl azodicarboxylate (DIAD) were characterized and analyzed by C80 micro-calorimetery and STA-FTIR-MS system. And thermal hazard of DIAD was assessed by using self-accelerating decomposition temperature (SADT) as the evaluation index. The results show that only one exothermic peak appeared in decomposition process, and that the onset

Nanorefrigerants with low particle concentration (≤0.1 vol. %) would bring more benefits in industrial application. In this article, R141b based nanorefrigerants containing Al2O3, TiO2 and SiO2 nanoparticles with concentrations of 0.02 − 0.1 vol. % were prepared and characterized. Thermal conductivities of these nanorefrigerants were measured in the temperature range of 278 − 298 K. The effect of concentration

The equilibrium structures and harmonic vibrational frequencies of the anion and the first triplet state of cyclooctatetraene were computed using the B3LYP, PBE0 and M06-2X approaches of the density functional theory associated with the aug-cc-pVTZ basis set. The first excited singlet state of cyclooctatetraene was calculated using the complete active space self-consistent field method. The photoelectron

We report rate constants for the tropospheric reaction between the OH radical and α, ω-dihydrofluoropolyethers, which represent a specific class of the hydrofluoropolyethers family with the formula HF2C(OCF2CF2)p(OCF2)qOCF2H. Four cases were considered: p0q2, p0q3, p1q0 and p1q1 (pxqy denoting p = x and q = y) with the calculations performed by a cost-effective protocol developed for bimolecular hydrogen-abstraction

The excited state relaxation pathways of isoxazole and oxazole upon excitation with UV-light were investigated by nonadiabatic ab initio dynamics simulations and time-resolved photoelectron spectroscopy. Excitation of the bright ππ*-state of isoxazole predominantly leads to ring-opening dynamics. Both the initially excited ππ*-state and the dissociative πσ*-state offer a combined barrier-free reaction

Experimental and computational studies of resonant Raman spectra of truly mono-sized nanoclusters (CdSe)33 and (CdSe)34 have been performed. First-principles calculations of vibrations are performed to account for the peculiarity of the spectrum and resonant Raman selection rules. Calculation method is based on analysis of the spatial distribution of the electron density in the ground and excited states

We have investigated reactivity of double bond in 2-methyl-2-butene (also trimethylethylene or amylene) in the excited and ionized states. In a combined experimental and theoretical study, we focused on both the intermolecular and intramolecular reactions. In a molecular beam experiment, we have sequentially picked up several amylene molecules on the surface of argon nanoparticles ArM (M≈90), acting

The dissociative photoionization of trans-1,3,3,3-tetrafluoropropene (HFO-1234ze) was investigated by imaging photoelectron photoion coincidence (PEPICO) spectroscopy. From the threshold photoelectron spectrum (TPES), an adiabatic ionization energy of 10.91 ± 0.05 eV is determined and reported for the first time. Over a 4-eV wide range, internal-energy selected trans-1,3,3,3-tetrafluoropropene cations

The principal components of the 13C chemical shift tensors for the ten crystallographically distinct carbon atoms of the active pharmaceutical ingredient cimetidine Form A have been measured using the FIREMAT technique. Density functional theory (DFT) calculations of 13C and 15N magnetic shielding tensors are used to assign the 13C and 15N peaks. DFT calculations were performed on cimetidine and a

Spectroscopic characterisations of the radical polyinterhalogen molecules IF2 and I2F are reported using anion photoelectron spectroscopy. The corresponding parent anions, IF2- and I2 F− , are common products formed in hard Ar-CF3I plasmas and are relevant in the semiconductor manufacture industry. The I2F− species, which is present as the [I-I-F]− isomer, is a “non-classical” polyinterhalogen.

Determination of global minimum structures and elucidation of reaction paths or minimum energy paths between low-lying minima are of great chemical importance. To that end, we have used our own Adaptive Mutation Simulated Annealing method to determine the global minimum and the minimum energy paths for various isomerisation reactions for small to moderate-sized (MgO)n (n=6-27) clusters, using the Born-Mayer

The 2D ferromagnets, such as CrX3 (X=Cl, Br and I), have been attracting extensive attentions since they provide novel platforms to fundamental physics and device applications. Integrating CrX3 with other electrodes and substrates is an essential step to their device realization. Therefore, it is important to understand the interfacial properties between CrX3 and other 2D materials. As an illustrative

A modification of the potential energy surface (PES) of ref. [D. Cappelletti, F. Pirani, B. Bussery- Honvault, L. Gomez, and M. Bartolomei, Physical Chemistry Chemical Physics 10, 4281 (2008)] for N2-N2 interactions is presented to improve its description of, particularly, the short range behavior for specific configurations, with the aim of producing a large database of vibration to vibration (V-V)