The influence of topological entropy (TS) on the effective transport coefficient (ETC) of a two-phase material is analyzed. The proposed methodology studies a system of aligned bars that evolves into a stochastic heterogeneous system. This proposal uses synthetic images generated by computational algorithms and experimental images from the scanning electron microscope (SEM). Microstructural variation is imposed for statistical reconstruction moments by simulated annealing (SA) and it is characterized through TS applied in Voronoi diagrams of the studied systems. On the other hand, ETC is determined numerically by the Finite Volume Method (FVM) and generalized by a transport efficiency of charge (ek). The results suggest that our approach can work as a design tool to improve the ETC in stochastic heterogeneous materials. The case studies show that ek decreases when TS increases to the point of stability of both variables. For example, for the 80% surface fraction, in the particulate system of diameter D = 1, ek = 50.81 ± 0.26% @ TS = 0.27 ± 0.002; when the system has an agglomerate distribution similar to a SEM image, ek = 45.69 ± 0.60% @ TS = 0.32 ± 0.002.
This research focuses on the synthesis and characterization of advanced materials for hydrogen storage. Two biocarbon samples were synthesized from Sargassum spp. The first was activated with KOH (SKPT) and the second was doped with sulfur (SSKTP); both were obtained through pyrolysis at 900 °C. The sulfur-doped biocarbon (SSKTP), with its high specific surface area (2377 m2 gࢤ1), exhibited enhanced electrocatalytic properties, making it an efficient candidate for hydrogen storage applications. Various characterization techniques were employed to study the relationship between physicochemical properties and hydrogen uptake. The presence of micropores and sulfur doping significantly improved hydrogen uptake at 45 °C and 50 bar, where SSKTP achieved 0.40 wt%. In comparison, the non-doped biocarbon (SKPT) showed a lower hydrogen storage capacity of 0.33 wt%, with a specific surface area of 1620 m2 gࢤ1. The results highlight the potential of sulfur-doped activated biocarbon as a functional material in energy conversion systems, specifically for electrocatalytic hydrogen storage processes. This study demonstrates a sustainable approach to utilizing biomass waste for advanced electrocatalysts, contributing to renewable energy solutions.
The transport efficiency of anisotropic functional membranes is largely dictated by the geometry and orientation of their internal pores. In this study, a numerical finite-volume framework was developed to evaluate how elliptical pore eccentricity () and orientation influence charge transport and effective conductivity () within two-dimensional porous membrane microstructures. Canonical stochastic domains with controlled porosity were generated, considering parallel and perpendicular aligned configurations of the major pore axis relative to the imposed potential gradient. Results demonstrated a strong orientation dependence: under perpendicular alignment, the effective conductivity decreased by up to 70% as εcc increased from 0.5 to 0.999, while parallel alignment maintained at > 0.8 even for highly elongated pores. The aspect ratio was identified as a secondary geometric modulator producing opposite conductivity trends depending on orientation. Through isotropy-error analysis, a critical morphological threshold at ≈ 0.9 was found, indicating the onset of structural anisotropy and loss of isotropic transport. These results establish a quantitative structure–property relationship linking pore geometry to macroscopic transport performance. The proposed stochastic FVM-based approach provides a generalizable and computationally efficient tool for the design and optimization of anisotropic porous membranes used in electrochemical and energy-conversion devices.
The electrochemical performance of hydrogen compressors (EHCs) depends critically on the hierarchical microstructure of their catalyst layers (CLs), where platinum, carbon, and ionomer phases govern coupled charge and mass transport across nanometric (Nano) and mesoporous (Meso) scales, the latter characterized by agglomerate and pore phases. This work presents an experimental–computational framework to establish quantitative microstructure–transport–performance relationships in EHC CLs. CLs were fabricated by electrospray deposition on Nafion® 117 membranes and characterized by scanning electron microscopy, from which 33 representative Meso MCs were extracted and used to assemble an EHC cell for experimental polarization curves. Statistically equivalent Nano MCs resolved phase connectivity within the agglomerate phase and determined the effective catalyst area from neighboring phase configurations. Effective transport coefficients for electronic conductivity, protonic conductivity, and H2 diffusivity were computed via the finite volume method and multiscale-coupled into an analytical polarization model. Electronic and protonic conductivities are controlled by conductive-phase connectivity at the Nano scale, while H2 diffusivity is governed by the pore fraction and spatial distribution at the Meso scale, with variations exceeding three orders of magnitude. Multiscale transport coupling factors obtained via inverse calibration reduced model–experiment discrepancies to 0.05 V, validating the framework for EHC electrode design.