• Energy Research

Achieving a quick temperature increase is a burning issue for biophysical applications, like germ inactivation and tumor ablation, and for energy performances, like solar collectors and steam generators. Based on the plasmon resonance phenomenon, noble metallic nanoparticles have emerged as promising weapons due to their very high biocompatibility, optical properties, and high surface-to-volume ratio, increasing energy conversion and allowing the maximum temperature to be reached faster. This work examines the energy conversion in sandwiched glassy platforms with gold nanorods. The platforms are kept vertically in the air and illuminated by a 0.5 W near-infrared laser (808 nm). To describe this aspect theoretically, the size and conversion efficiency of the electromagnetic properties are compromised between the proposed model and the stability of the nanorods. As a research approach, our model of cross-sections and polarizability for the surface effect is proposed, coupled with classical CFD numerical calculations. The results of the proposed model, validated by a thermal camera and spectroscopy measurements, indicate that as long as the energy conversion is visible with relatively low-power lasers (ΔT = 18.5 °C), the platforms do not offer fast heat dissipation. The results indicate that, despite the flow forcing by the air inflow, the entropy generation due to heat conduction is more than three orders higher than the dynamic entropy production. Flow forcing corresponds to the value of the velocity for classical convective motions. Therefore, the delivered heat flux must be distributed via convective transport or the associated high-conductive materials.

Purpose In the wake of the COVID-19 pandemics, the demand for innovative and effective methods of bacterial inactivation has become a critical area of research, providing the impetus for this study. The purpose of this research is to analyze the AuNPs-mediated photothermal inactivation of E. coli. Gold nanoparticles irradiated by laser represent a promising technique for combating bacterial infection that combines high-tech and scientific progress. The intermediate aim of the work was to present the calibration of the model with respect to the gold nanorods experiment. The purpose of this work is to study the effect of initial concentration of E. coli bacteria, the design of the chamber and the laser power on heat transfer and inactivation of E. coli bacteria. Design/methodology/approach Using the CFD simulation, the work combines three main concepts. 1. The conversion of laser light to heat has been described by a combination of three distinctive approximations: a- Discrete particle integration to take into account every nanoparticle within the system, b- Rayleigh-Drude approximation to determine the scattering and extinction coefficients and c- Lambert–Beer–Bourger law to describe the decrease in laser intensity across the AuNPs. 2. The contribution of the presence of E. coli bacteria to the thermal and fluid-dynamic fields in the microdevice was modeled by single-phase approach by determining the effective thermophysical properties of the water-bacteria mixture. 3. An approach based on a temperature threshold attained at which bacteria will be inactivated, has been used to predict bacterial response to temperature increases. Findings The comparison of the thermal fields and temporal temperature changes obtained by the CFD simulation with those obtained experimentally confirms the accuracy of the light-heat conversion model derived from the aforementioned approximations. The results show a linear relationship between maximum temperature and variation in laser power over the range studied, which is in line with previous experimental results. It was also found that the temperature inside the microchamber can exceed 55 °C only when a laser power higher than 0.8 W is used, so bacterial inactivation begins. Research limitations/implications The experimental data allows to determinate the concentration of nanoparticles. This parameter is introduced into the mathematical model obtaining the same number of AuNPs. However, this assumption introduces a certain simplification, as in the mathematical model the distribution of nanoparticles is uniform. Practical implications This work is directly connected to the use of gold nanoparticles for energy conversion, as well as the field of bacterial inactivation in microfluidic systems such as lab-on-a-chip. Presented mathematical and numerical models can be extended to the entire spectrum of wavelengths with particular use of white light in the inactivation of bacteria. Originality/value This work represents a significant advancement in the field, as to the best of the authors’ knowledge, it is the first to employ a single-phase computational fluid dynamics (CFD) approach specifically combined with the thermal inactivation of bacteria. Moreover, this research pioneers the use of a numerical simulation to analyze the temperature threshold of photothermal inactivation of E. coli mediated by gold nanorods (AuNRs). The integration of these methodologies offers a new perspective on optimizing bacterial inactivation techniques, making this study a valuable contribution to both computational modeling and biomedical applications.

Abstract Noble metallic nanoparticles (NPs) have shown great potential in the field of sustainable energy. Gold nanorods (AuNRs), known for their size-dependent optical and electrical characteristics, are strong candidates for various applications, particularly in solar energy conversion. Additionally, AuNRs are well-established nanomaterials in precision medicine. In this paper, we optimize the shape and size of AuNRs to maximize light-to-heat conversion based on a validated theoretical model. Utilizing the Differential Evolution (DE) algorithm, a robust metaheuristic optimization approach, we calculated the optimal size and shape of AuNRs for selected wavelengths. The aspect ratio (AR), defined as the ratio of the diameter to the length of the AuNRs, was a key parameter in the optimization process. The optimization results reveal that for shorter wavelengths, near-spherical AuNRs (AR of 0.71 and 0.75) demonstrate the highest efficiency, while for longer wavelengths, more elongated AuNRs (AR of 0.24 and 0.17) outperform others. This study also includes Computational Fluid Dynamics (CFD) calculations to evaluate the impact of optimized AuNRs on heat generation in a real-world scenario. A case study is presented in which lasers of different wavelengths irradiate a borosilicate glass embedded with a slab of AuNRs at its center. The results, reported as temperature distributions and temperature evolution during irradiation, indicate that the optimized AuNRs significantly enhance heat generation across various laser wavelengths. Specifically, temperature increases were observed as follows: from 2.28 to $$39.08\,^\circ \textrm{C}$$ at 465 nm, from 1.91 to $$81.42\,^\circ \textrm{C}$$ at 532 nm, from 1.7 to $$65.14\,^\circ \textrm{C}$$ at 640 nm, from 40 to $$48.35\,^\circ \textrm{C}$$ at 808 nm, and from 0.94 to $$118.45\,^\circ \textrm{C}$$ at 980 nm, respectively. These findings underscore the effectiveness of the optimization process in enhancing photothermal conversion.