Raman Calibration Models for Chemical Species Determination in CO2-Loaded Aqueous MEA Solutions Using PLS and ANN Techniques

The improvement in energy efficiency is recognized as one of the significant parameters for achieving our net-zero emissions target by 2050. One exciting area for development is conventional carbon capture technologies. Current amine absorption-based systems for carbon capture operate at suboptimal conditions resulting in an efficiency loss, causing a high operational expenditure. Knowledge of qualitative and quantitative speciation of CO2-loaded alkanolamine systems and their interactions can improve the equipment design and define optimal operating conditions. This work investigates the potential of Raman spectroscopy as an in situ monitoring tool for determining chemical species concentration in the CO2-loaded aqueous monoethanolamine (MEA) solutions. Experimental information on chemical speciation and vapour-liquid equilibrium was collected at a range of process parameters. Then, partial least squares (PLS) regression and an artificial neural network (ANN) were applied separately to develop two Raman species calibration models where the Kent–Eisenberg model correlated the species concentrations. The data were paired and randomly distributed into calibration and test datasets. A quantitative analysis based on the coefficient of determination (R2) and root mean squared error (RMSE) was performed to select the optimal model parameters for the PLS and ANN approach. The R2 values of above 0.90 are observed for both cases indicating that both regression techniques can satisfactorily predict species concentration. ANN models are slightly more accurate than PLS. However, PLS (being a white box model) allows the analysis of spectral variables using a weight plot.

Pressure-sensitive paint diagnostic to measure species concentration on transpiration-cooled walls

This paper presents the performance of pressure-sensitive paint (PSP) for the direct measurement of species concentration on a porous surface with mass injection. It is used to measure the ability of an injected gas to reduce the mass transfer of freestream species to the surface. A porous alumina sample was sprayed with a PSP luminophore solution. The sample was installed into a flat plate model and exposed to hypersonic cross-flows in the Oxford High-Density Tunnel. Tests were conducted with no coolant injection, air injection, and nitrogen injection at increasing blowing ratios. Oxygen partial pressure maps on the transpiration-cooled surface were obtained for several conditions at unit Reynolds numbers between $$2.58{-}5.0 \times 10^7/ \mathrm{m}$$ 2.58 - 5.0 × 10 7 / m and blowing ratios between $$0.016{-}0.078\%$$ 0.016 - 0.078 % . The oxygen pressure decreases as the unit Reynolds number decreases and the blowing ratio increases. Graphic abstract

Soret and Dufour Effects on Hydromagnetic Flow of H2O-Based Nanofluids Induced by an Exponentially Expanding Sheet Saturated in a Non-Darcian Porous Medium

Diffusion-thermo effect (Dufour effect) and thermal-diffusion effect (Soret effect) on an MHD flow through porous medium taking nanoparticles may be considered to be useful in many engineering problems when there is a species concentration along with the solid nanoparticles. To study such an attracting problem, it is necessary to consider the flow to be single-phase. In the present investigation, the hydromagnetic flow of H2O-based nanofluids due to an exponentially expanding sheet saturated in non-Darcian porous material is examined with Dufour and Soret effects. In addition, temperature and species concentration along the surface in flow distribution are considered to be variable exponentially. Two sorts of nanofluids are considered, to be specific, Cu–H2O and Ag–H2O. Use of proper similarity transformations transfers the governing PDEs to coupled ODEs. Then the solutions of the coupled equations are computed by very efficient shooting method. Non-dimensionless velocity species concentration and temperature are introduced in graphical mode for several values of involved parameters. Out of several obtained outcomes, it is noticeable that similar to the magnetic parameter and permeability parameter, due to increase in non-Darcy Forchheimer parameter velocity diminishes and while temperature and species concentration increments are witnessed. Due to presence of Dufour effect, temperature enhances and similarly, the concentration increases for Soret effect. While due to Dufour effect, the concentration initially decreases, but away from surface it increases and similar behaviour is found for temperature in the case of Soret effect. Also, it is obtained that skin-friction coefficient for Cu–H2O nanofluid is larger than it value for Ag–H2O nanofluid. Dufour effect turns into the reason for the reduction of Nusselt number and increment of Sherwood number for both nanofluids, but Soret effect affects the two nanofluids reversely. The analysis and its findings provide some tools which may be applied in engineering and industrial problems.

Nonlinear Mixed Convective Flow over a Moving Yawed Cylinder Driven by Buoyancy

The fluid flow over a yawed cylinder is useful in understanding practical significance for undersea applications, for example, managing transference and/or separation of the boundary layer above submerged blocks and in suppressing recirculating bubbles. The present analysis examines nonlinear mixed convection flow past a moving yawed cylinder with diffusion of liquid hydrogen. The coupled nonlinear control relations and the border restrictions pertinent to the present flow problem are nondimensionalized by using nonsimilar reduction. Further, implicit finite difference schemes and Quasilinearization methods are employed to solve the nondimensional governing equations. Impact of several nondimensional parameters of the analysis on the dimensionless velocity, temperature and species concentration patterns and also on Nusselt number, Sherwood number and friction parameter defined at the cylinder shell is analyzed through numerical results presented in various graphs. Velocity profiles can be enhanced, and the coefficients of friction at the surface can be reduced, for increasing values of velocity ratio parameters along chordwise as well as spanwise directions. Species concentration profile is reduced, while the Sherwood number is enhanced, for growth of the Schmidt number and yaw angles. Furthermore, for an increasing value of yaw angle, skin-friction coefficient in chordwise direction diminishes in opposing buoyancy flow case, whereas the results exhibit the opposite trend in assisting buoyancy flow case. Moreover, very importantly, for increasing magnitude of nonlinear convection characteristic, the liquid velocity and surface friction enhance in spanwise direction. Further, for increasing magnitude of combined convection characteristics, velocity profiles and coefficient of friction at the surface enhance in both spanwise and chordwise directions. Moreover, we have observed that there is no deviation for zero yaw angle in Nusselt number and Sherwood number.

Enabling robust simulation of polyoxymethylene dimethyl ether 3 (PODE3) combustion in engines

PODE3 reaction mechanism developments are still in the early stages with very limited research. In particular, reaction mechanisms to characterize PODE3 combustion are neither sufficiently compact nor robust for 3D numerical simulations. Hence, the current work seeks to develop a compact yet reliable PODE3 reaction mechanism, embedded with appropriate chemistry to describe polycyclic aromatic hydrocarbon reactions. A decoupling methodology has been employed to achieve the desired outcome. The final mechanism comprises only 120 species and 560 reactions even after including components of diesel and gasoline surrogates. It has been validated with ignition delay times, laminar flame speeds, jet-stirred reactor species concentration profiles, flame species concentration profiles, extinction strain rates, heat release rates in constant volume combustion chamber, homogeneous charge compression ignition engine combustion, and direct injection compression ignition engine combustion. In a numerical investigation conducted using gasoline/diesel/PODE3 blends, soot emissions are observed to decrease with PODE3 increment, which establishes PODE3 as a promising additive. Intriguingly, the current study has also discovered that with 15% PODE3 addition, soot and its precursors will increase in concentration during combustion, though this effect will be outweighed by oxidative effects towards the end. Overall, the new mechanism has been proven suitable and feasible for engine simulations.

Selective Oxidation of Transient Organic Radicals in the Presence of Gold Nanoparticles

The ability of gold nanoparticles (AuNPs) to catalyze reactions involving radicals is poorly studied. However, AuNPs are used in applications where chemical reactions involving transient radicals occur. Herein, we investigate AuNPs’ catalytic effect on 2-propanol oxidation and acetanilide hydroxylation in aqueous solutions under ionizing radiation at room temperature. In both cases, the presence of AuNPs led to selective oxidation of organic radicals, significantly changing the products’ composition and ratio. Based on these observations, we stress how AuNPs’ catalytic activity can affect the correctness of reactive oxygen species concentration determination utilizing organic dyes. We also provide a discussion on the role of AuNPs’ catalytic activity in the radiosensitization effect actively studied for radiotherapy.

Experimental and numerical simulation of the piston engine fueled with alternative fuel blends: CFD approach

Purpose The purpose of this paper is to find the pressure and the knocking phenomena. To get the pressure values, the butterworth bandpass filter was used and the potential of knocking was found by using peak-to-peak pressure values and also the species concentration. Cooled exhaust gas recirculation was the method used to minimize the knocking occurrence in the engine. Moreover, the effect of premixed methanol and start of engine (SOI) on knocking were also determined. Design/methodology/approach This paper deals with the compression ignition engine to investigate the unfavorable knocking behavior. The tests were carried out with the 3D model of engine fueled with waste cooking oil blended with TiO2. A number of tests were taken to find the pressure variation and the species concentration at eight different locations in the computational model. Findings In doing the tests, the positive intended outcome was achieved. From results, it is clear that the SOI and premixed methanol mitigated the knocking process. Originality/value The species concentration and pressure in the form of filtered signal were proved to be the ideal methods for evaluating the knocking event in the engine.