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At least 415 records · Page 23

Wavelength selective transfer of optical energy

An all fiber wavelength selective coupler provides wavelength selective transfer of optical energy between two or more separated waveguides. The coupler includes signal cores that are separated enough that they can be fusion spliced to standard fibers as lead-in and lead-out pigtails. A bridge between the signal cores facilitates transfer of the optical energy through a process of evanescent coupling. In one example, the bridge is formed of a series of graded index cores.

Allen, Graham S.↗

A multiphysics coupling framework for exascale simulation of fracture evolution in subsurface energy applications

Predicting the evolution of fractured media is challenging due to coupled thermal, hydrological, chemical and mechanical processes that occur over a broad range of spatial scales, from the microscopic pore scale to field scale. We present a software framework and scientific workflow that couples the pore scale flow and reactive transport simulator Chombo-Crunch with the field scale geomechanics solver in GEOS to simulate fracture evolution in subsurface fluid-rock systems. This new multiphysics coupling capability comprises several novel features. An HDF5 data schema for coupling fracture positions between the two codes is employed and leverages the coarse resolution of the GEOS mechanics solver which limits the size of data coupled, and is, thus, not taxed by data resulting from the high resolution pore scale Chombo-Crunch solver. The coupling framework requires tracking of both before and after coarse nodal positions in GEOS as well as the resolved embedded boundary in Chombo-Crunch. We accomplished this by developing an approach to geometry generation that tracks the fracture interface between the two different methodologies. The GEOS quadrilateral mesh is converted to triangles which are organized into bins and an accessible tree structure; the nodes are then mapped to the Chombo representation using a continuous signed distance function that determines locations inside, on and outside of the fracture boundary. The GEOS positions are retained in memory on the Chombo-Crunch side of the coupling. The time stepping cadence for coupled multiphysics processes of flow, transport, reactions and mechanics is stable and demonstrates temporal reach to experimental time scales. The approach is validated by demonstration of 9 days of simulated time of a core flood experiment with fracture aperture evolution due to invasion of carbonated brine in wellbore-cement and sandstone. We also demonstrate usage of exascale computing resources by simulating a high resolution version of the validation problem on OLCF Frontier.

97 MATHEMATICS AND COMPUTING↗

Insights into the thermo-hydraulic properties of compacted MX80 bentonite during hydration under elevated temperature

In high-level radioactive waste geological repositories, compacted bentonite undergoes coupled thermo-hydraulic processes due to heat released from a central waste canister and groundwater imbibition from the surrounding host rock. An understanding of these processes is essential for long-term simulations of radionuclide migration and canister corrosion, which requires an understanding of temperature effects on the coupled thermo-hydraulic properties governing these processes. In this study, a tank-scale radial infiltration test was used to investigate water imbibition processes in compacted bentonite under a central heater temperature of 200 °C that simulates high thermal gradients in a repository. Interpretation of this test focuses on evaluation of the liquid water wetting front during hydration and the interpretation of the temperature-dependent transient soil water retention curve (SWRC), thermal conductivity function (TCF), and hydraulic conductivity function (HCF). The SWRC during imbibition follows a temperature-dependent wetting path. Temperature effects on the hydraulic conductivity of bentonite in saturated conditions had the greatest effect on the shape of the HCF, with minimal temperature effects at higher suctions. The transient thermal conductivity data matched well with a new TCF linked with the SWRC shape. Although the bentonite layer was restrained, local deformations during hydration may have affected the shapes of the TCF and HCF.

Engineering↗

Prediction of local concentration fields in porous media with chemical reaction using a multi scale convolutional neural network

The study of solute transport in porous media is of interest in many chemical engineering systems. Some example applications include packed bed catalytic reactors, filtration devices, and batteries. The pore scale modeling of these systems is time consuming and may require large computing resources, for this reason computational fluid dynamics (CFD) simulations are not practical if a large number of simulations is required, like in multiscale modeling, where a model at a large scale calls for pore scale simulations. It has been shown that neural networks can be trained with a dataset of flow simulations and then predict fields orders of magnitude faster, and with less computational resources, in new domains. However, it is crucial to provide the neural network with an effective description of the domain and the undergoing operating conditions to be able to train models that generalize accurately in unseen samples. Therefore, research is needed to employ neural networks in new complex systems. The appropriate training of a network for predicting coupled flow and solute transport processes is an outstanding problem due to the complex interplay between geometry and operating conditions. In this work, we train a multi scale convolutional neural network (MSNet) with a diverse dataset of simulations of transport and chemical reaction in porous media to predict the local concentration fields in images of porous media. Our dataset contains a wide diversity of sphere pack arrangements under different operating conditions (Péclet and Reynolds numbers). Further, we train a robust model by employing different input descriptors that represent the medium and the different operating conditions of each system. Our trained model is able to provide nearly instantaneous predictions, compared to around twenty hours of the CFD workflow, with less than 3.5% error on new geometries and transport conditions. Thus the model could be easily integrated in a multiscale workflow where fast response is needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Dynamics and Thermodynamics of ENSO and Its Complexity Simulated by E3SM and Other Climate Models

Despite the seeming success of most state-of-the-art climate models in simulating the El Niño-Southern Oscillation (ENSO), there is strong evidence that models achieve realistic levels of ENSO activity do so often for wrong reasons. This is owing to an often occurred near cancelation of large errors in terms of contributions to ENSO growth rate from coupled dynamic and thermodynamic feedback processes. Climate models remain deficient in simulating the observed ENSO’s spatial and temporal complexity that involves interplays of coupled dynamic and thermodynamic feedbacks, interactions across multiple scales, nonlinear processes in the tropical atmosphere and ocean system, biases in mean sate and physical processes, and influences external to equatorial Pacific coupled ENSO dynamics. Our proposed research aims at advancing predictive and process-level understandings of ENSO simulated in E3SM and other climate models under current and future climate conditions with two main objectives: (i) better understanding the aforementioned broad range interactive processes and sources that control fundamental properties of ENSO in E3SM and CIMP6 outputs as well as in observational (reanalysis) data sets, using a hierarchical of coupled dynamical frameworks consisting of theoretical analysis, intermediate complexity modeling, and coupled dynamic diagnostics; (ii) to use this understanding to explore pathways towards improving E3SM’s capability of simulating ENSO and its complexity. More specifically, we will focus on four main thrusts of research: (1) ENSO’s dynamic and thermodynamic feedbacks; (2) the across-scale interactions of ENSO with annual cycle and MJO/WWB/TIW (Madden Julian Oscillation/Westerly Wind Burst/Tropical Instability Wave) activity; (3) key nonlinear processes of ENSO involving atmospheric convective thresholds, nonlinear ocean dynamic heating, and thermocline outcropping; and (4) the impacts of climate mean-state biases/changes and perturbed physical processes on simulated ENSO and its complexity.

54 ENVIRONMENTAL SCIENCES↗

Simulation of Chilled-water Injection at EGS Collab Testbed 2 using the GEOS simulation framework

This work seeks to model the chilled-water injection that occurred at EGS Collab Testbed 2 as part of experiment 3, using the open-source GEOS simulation framework. Modeling of this process, previously conducted using STOMP-GT, confirmed that thermal breakthrough was expected to occur during the chill water injection and may have been masked by strong Joule-Thompsons effects induced by large pressure drops between the fractures and the production wells. Building a GEOS numerical model of this process will allow to include additional physics. In fact, GEOS can model fully coupled thermo-poromechanical processes in fractured porous media and can be employed to model the process of artificially enhancing rock permeability by hydraulically fracturing the rocks. For example, the GEOS model could help understanding the dynamic nature of the EGS collab experiment 3 flow system. Since the limited time and resources do not allow for an extensive study, the focus is on building a baseline model of this process. As such, the main outcomes of this modelling efforts are listed below.

15 GEOTHERMAL ENERGY↗

Chloride Salt Purification by Reaction With Thionyl Chloride Vapors to Remove Oxygen, Oxygenated Compounds, and Hydroxides

Molten chloride salts (including MgCl 2 , KCl, NaCl, and ZnCl 2 ) are being considered for heat transfer media for renewable (solar) and nuclear power generators, as fuel carrier for nuclear reactors, and as thermal energy storage media. Impurities such as oxygen, hydroxides, moisture, and sulfur are known to negatively influence the corrosion of materials in contact with the salt (e.g., structural metals). Commercially available chloride salts come with a range of impurities. Before using the chloride salts at high temperature, it is desirable to remove the impurities to increase the performance of the salt and reduce corrosion. In this study, we tested the use of thionyl chloride vaporized into a stream of argon to react with oxygenated impurities in a mixture of MgCl 2 -KCl-NaCl, removing them as HCl and SO 2 . The reagent was bubbled through the salt when both above and below the melting point. The reaction was followed using thermocouple data from the salt and by Fourier transform infrared (FTIR) spectroscopy on the exhaust of the reactor. The reaction kinetics were followed by comparing the peaks from SO 2 product to SOCl 2 reagent in the FTIR spectra. The purity of the salt was assessed at the end of the purification process by x-ray diffraction and inductively coupled plasma analysis. Although the process was effective in removing the oxygen content of the mixture, ternary compounds were formed in the process, including KNiCl 3 and KMgCl 3 . The nickel in KNiCl 3 came from the reaction between the salt and the nickel vessel. Thus, these experiments suggest that improvements to the process must be made before using SOCl 2 vapors for the purification of chloride salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accurate assessment of land–atmosphere coupling in climate models requires high-frequency data output

Land–atmosphere (L–A) interactions are important for understanding convective processes, climate feedbacks, the development and perpetuation of droughts, heatwaves, pluvials, and other land-centered climate anomalies. Local L–A coupling (LoCo) metrics capture relevant L–A processes, highlighting the impact of soil and vegetation states on surface flux partitioning and the impact of surface fluxes on boundary layer (BL) growth and development and the entrainment of air above the BL. A primary goal of the Climate Process Team in the Coupling Land and Atmospheric Subgrid Parameterizations (CLASP) project is parameterizing and characterizing the impact of subgrid heterogeneity in global and regional Earth system models (ESMs) to improve the connection between land and atmospheric states and processes. A critical step in achieving that aim is the incorporation of L–A metrics, especially LoCo metrics, into climate model diagnostic process streams. However, because land–atmosphere interactions span timescales of minutes (e.g., turbulent fluxes), hours (e.g., BL growth and decay), days (e.g., soil moisture memory), and seasons (e.g., variability in behavioral regimes between soil moisture and latent heat flux), with multiple processes of interest happening in different geographic regions at different times of year, there is not a single metric that captures all the modes, means, and methods of interaction between the land and the atmosphere. And while monthly means of most of the LoCo-relevant variables are routinely saved from ESM simulations, data storage constraints typically preclude routine archival of the hourly data that would enable the calculation of all LoCo metrics. Here, we outline a reasonable data request that would allow for adequate characterization of sub-daily coupling processes between the land and the atmosphere, preserving enough sub-daily output to describe, analyze, and better understand L–A coupling in modern climate models. A secondary request involves embedding calculations within the models to determine mean properties in and above the BL to further improve characterization of model behavior. Higher-frequency model output will (i) allow for more direct comparison with observational field campaigns on process-relevant timescales, (ii) enable demonstration of inter-model spread in L–A coupling processes, and (iii) aid in targeted identification of sources of deficiencies and opportunities for improvement of the models.

54 ENVIRONMENTAL SCIENCES↗

Matrix Diffusion Controls Mountain Hillslope Groundwater Ages and Inferred Storage Dynamics

Groundwater age distributions provide fundamental insights on coupled water and biogeochemical processes in mountain watersheds. Field-based studies have found mixtures of young and old-aged groundwater in mountain catchments underlain by bedrock; yet, the processes that dictate these groundwater age distributions are poorly understood. In this work, we use the coupled ParFlow-CLM integrated hydrologic and EcoSLIM particle tracking models to simulate groundwater age distributions on a lower montane hillslope in the East River Watershed, Colorado (USA). We develop a convolution-based approach to propagate fracture-matrix diffusion processes to the EcoSLIM advection-dominated age distributions. We compare observed 3 H and 4 He concentrations from two groundwater wells against model predictions that have varying advective transport times and matrix diffusion magnitudes. Based on a Monte Carlo analysis that considers uncertain matrix and fracture parameters, we find that matrix diffusion is needed to jointly predict 3 H and 4 He observations at both wells. The advection-dominated age distributions lack adequate mixing of young and old-aged water to capture the observed co-occurrence of 3 H and 4 He. The model scenario that best matches the 3 H, 4 He, and water level observations when considering both advective flowpath and matrix diffusion mixing processes has a dynamic bedrock groundwater reservoir that is susceptible to considerable storage losses during low-snow periods. This dynamic groundwater system amplifies the need to assimilate deeper bedrock groundwater into watershed hydro-biogeochemical predictions. This work further highlights the importance of considering matrix diffusion when interpreting environmental tracers in bedrock groundwater systems.

54 ENVIRONMENTAL SCIENCES↗

Characterization of Virgin, Re-used, and Oxygen-reduced Copper Powders processed by the Plasma Spheroidization Process

We report that fabrication of parts with high mechanical properties heavily depend on the quality of powder deployed in the fabrication process. Copper powder in three different powder types were spheroidized using radio-frequency inductively coupled plasma (ICP) spheroidization process (TekSphero-15 system). The characterized powders include virgin powder as purchased from the powder manufacturer, powder used in electron beam powder bed fusion (EB-PBF) process, and reconditioned powder, which was used powder that underwent an oxygen-reduction treatment. The goal of spheroidizing these powder types was to evaluate the change in powder morphology, the possibility of enhancing the powder properties back to their as-received conditions, and assess oxygen reduction of the powder lots given their initial oxygen contents. Also, to investigate the impact of re-spheroidization on powder properties, the second round of spheroidization was performed on the already used-spheroidized powder. The impact of powder type on powder sphericity and particle size distribution was evaluated using the image analysis of scanning electron microscope (SEM) micrographs and laser diffraction, respectively. The spheroidized powder showed higher sphericity and more uniform particle size distribution overall. Depending on the powder collection bin, second round of spheroidization affected the powder sphericity differently. The possibility of deploying the plasma spheroidization process as an alternative oxygen-reduction technique was also investigated through tracking the powders’ oxygen content using inert gas fusion method before and after the spheroidization. The plasma spheroidized powder showed less oxygen content than the hydrogen-treated powder. The second round of spheroidization caused no change in oxygen content. The correlation between oxygen-reduction and created cracks was discussed and compared between plasma spheroidization and hydrogen-treatment. The plasma spheroidization process created a powder with higher sphericity, uniform particle size, and less oxygen content.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Proton-Coupled Group Transfer Enables Concerted Protonation Pathways Relevant to Small-Molecule Activation

The mechanistic identification of Nature's use of concerted reactions, in which all bond-breaking and bond-making occurs in a single step, has inspired rational designs for artificial synthetic transformations via pathways that bypass high energy intermediates that would otherwise be thermodynamically and kinetically inaccessible. Here, we electrochemically activate an organometallic Ruthenium(II) complex to show that, in acetonitrile solutions, the movement of protons from weak Brønsted acids, such as water and methanol, is coupled with the transfer of its negatively charged counterpart to carbon dioxide (CO 2 ) - a process termed proton-coupled group transfer - to stoichiometrically produce a metal-hydride complex and a carbonate species. These previously unidentified pathways have played key roles in CO 2 and proton reduction catalysis by enabling the generation of key intermediates such as hydrides and metallocarboxylic acids, while its applicability to carbon acids may provide alternative approaches in the electrosynthesis of chemical commodities via alkylation and carboxylation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Relativistic plasma physics in supercritical fields

Since the invention of chirped pulse amplification, which was recognized by a Nobel Prize in physics in 2018, there has been a continuing increase in available laser intensity. Combined with advances in our understanding of the kinetics of relativistic plasma, studies of laser-plasma interactions are entering a new regime where the physics of relativistic plasmas is strongly affected by strong-field quantum electrodynamics (QED) processes, including hard photon emission and electron-positron (e⁻-e⁺) pair production. Additionally, this coupling of quantum emission processes and relativistic collective particle dynamics can result in dramatically new plasma physics phenomena, such as the generation of dense e⁻-e⁺ pair plasma from near vacuum, complete laser energy absorption by QED processes, or the stopping of an ultra-relativistic electron beam, which could penetrate a cm of lead, by a hair's breadth of laser light. In addition to being of fundamental interest, it is crucial to study this new regime to understand the next generation of ultra-high intensity laser-matter experiments and their resulting applications, such as high energy ion, electron, positron, and photon sources for fundamental physics studies, medical radiotherapy, and next generation radiography for homeland security and industry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

P–P Coupling with and without Terminal Metal–Phosphorus Intermediates

Terminal metal–phosphorus (M–P) complexes are of significant contemporary interest as potential platforms for P-atom transfer (PAT) chemistry. Decarbonylation of metal–phosphaethynolate (M–PCO) complexes has emerged as a general synthetic approach to terminal M–P complexes. M–P complexes that are stabilized by strong M–P multiple bonds are kinetically persistent and isolable. In the absence of strong M–P stabilization, the formation of diphosphorus-bridged complexes (i.e., M–P–P–M species) is often interpreted as evidence for the intermediacy of reactive, unobserved M–P species. Here, we demonstrate that while diphosphorus complexes can arise from reactive M–P species, P–P coupling can also proceed directly from M–PCO species without the intermediacy of M–P complexes. Photochemical decarbonylations of a pincer-supported Ni (II)–PCO complex at 77 K afford a spectroscopically observed terminal Ni–P complex, which is best described as a triplet, Ni(II)-metallophosphinidene with two unpaired electrons localized on the atomic phosphorus ligand. Thermal annealing of this transient Ni–P complex results in rapid dimerization to afford the corresponding P 2 2– -bridged dinickel complex. Unexpectedly, the same P 2 2– -bridged dinickel complex can also be accessed via a thermally promoted process in the absence of light. The analysis of reaction kinetics, isotope-labeling studies, and computational results indicate that the thermal P–P coupling process proceeds via a noncanonical mechanism that avoids terminal M–P intermediates. Together, these results represent the first observation of P–P coupling from characterized terminal M–P species and demonstrate that terminal M–P intermediates are not required to obtain P–P coupling products. These observations provide critical mechanistic understanding of the activation modes relevant to P-atom transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Real-time infrared spectroscopy coupled with blind source separation for nuclear waste process monitoring

On-line infrared absorbance spectroscopy enables rapid measurement of solution-phase molecular species. Many spectra-to-concentration models exist for spectral data, with some models able to handle overlapping spectral bands and nonlinearities. However, model accuracy is limited by the quality of training data used in model fitting. The process spectra of nuclear waste simulants at the Savannah River Site display incongruity between training and process spectra; the glycolate spectral signature in the training data does not match the glycolate signature in Savannah River National Laboratory process data. A novel blind source separation algorithm is proposed that preprocesses spectral data so that process spectra more closely resemble training spectra, thereby improving model quantification accuracy when unexpected sources of variation appear in process spectra. The novel blind source separation preprocessing algorithm is shown to improve nitrate quantification from an R 2 of 0.934 to 0.988 and from 0.267 to 0.978 in two instances analyzing nuclear waste simulants from the Slurry Receipt Adjustment Tank and Slurry Mix Evaporator cycle at the Savannah River Site.

Crouse, Steven H.↗

CIGS Technology Advancement via Fundamental Modeling of Defect/Impurity Interactions (Final Technical Report)

The primary goals of the proposed work were to provide modeling tools (and the associated insight which comes along with model development) for design and optimization of CuIn x Ga 1-x Se 2 (CIGS) and CdSeTe (CST) solar cell manufacturing processes and to establish the foundation for comprehensive end-to-end predictive modeling tools to enable optimization of thin film photovoltaic technology for performance, cost, yield, and reliability. The initial focus of efforts within this project was to develop coupled process/optical/device models for CIGS PV technology and to work with Siva Power to apply that TCAD (technology computer-aided design) system to improve the efficiency and reduce manufacturing costs for CIGS solar cells. Our approach to that end was to generate an extensive database of DFT calculations and to use those calculations via statistical thermodynamics methods and Monte Carlo simulation to develop and characterize models for the behavior of native defects as well as intentional and unintentional impurities, including the redistribution of the primary components of CIGS films. Increased effort went toward coupling those models for defect behavior and composition evolution to the performance of multicrystalline CIGS solar cells via prediction of doping level and recombination lifetime as function of manufacturing process. In the second budget period, the project pivoted to developing a similar system for the CdSeTe system, focused especially on understanding the role of Se/Te alloy concentration. Execution of the project resulted in the successful development of TCAD systems for both CIGS and CdSeTe thin film PV within the Synopsys Sentaurus framework by utilizing the Alagator interface. In the first budget period of the project, we developed quantitative models for the major components of CIGS PV and implemented them within a framework that couples process, optical, and device simulation. From the insights we have gained, we identified novel opportunities for enhancing CIGS solar cell performance and have laid the groundwork to further optimize the layer structure, composition profile, and thermal cycles for substantially improved efficiency and lower manufacturing costs. For the CIGS system, process changes to achieve greater than 1% absolute enhancement in efficiency were identified, but testing of those approaches was stymied by lack of a domestic CIGS manufacturing partner after the closure of Siva Power as well as Miasole. For CdSeTe, a fully capable TCAD system only became ready to apply near the end of the project period, so substantial opportunities remain to apply those models to enhance the leading thin film PV technology.

14 SOLAR ENERGY↗

Distinctive features of structural evolution and thermodynamic response in wide-bandgap semiconductors driven by intense electronic excitation

Radiation-tolerant material selection requires balancing lattice rigidity, defect dynamics, and electronic stability, as shown by covalent SiC outperforming ionic Ga 2 O 3 and GaN under extreme environments. Responding to intense electronic excitation, irradiation-driven phase segregation (β → δ/κ in Ga 2 O 3 ) and core–shell track (disordered structure in GaN), accompanied by elemental redistribution, contrastingly, exceptional radiation tolerance manifested by comparatively minimal lattice distortion (0.17 % strain variation) was demonstrated in SiC. These differential responses are primarily attributed to two fundamental mechanisms: (i) thermodynamic driving forces governing defect migration and phase separation, and (ii) the synergistic effects of robust covalent bonding composition coupled with efficient defect recombination processes. Here, the stronger electron–phonon (e-ph) coupling in Ga 2 O 3 (4.34 × 1018 W m −3 K −1 ) and GaN (3.55 × 10 18 W m −3 K −1 ) enhances lattice energy deposition, triggering thermal spikes (ΔT ≫ T m ) and structural transition behaviors, whereas weaker e-ph coupling in SiC (3.69 × 10 18 W m −3 K −1 ), relatively high thermodynamic parameters and efficient energy dissipation suppress thermal spikes to maintaining lattice integrity. The photoresponse degradation driven by enhanced radiative recombination is dominant in N-doped SiC, while V-doped systems achieve defect-mediated photoconduction optimization characterized by abrupt current transitions, matching fluorescence yield evolutions, and directly connecting defect engineering to optoelectronic performance.

Intense electronic excitation↗

Harmonic Generation and Inverse Cascade in the z-Pinch Driven, Preseeded Multimode, Magneto-Rayleigh-Taylor Instability

We report the magneto-Rayleigh-Taylor instability (MRTI) plays an essential role in astrophysical systems and in magneto-inertial fusion, where it is known to be an important degradation mechanism of confinement and target performance. In this Letter, we show for the first time experimental evidence of mode mixing and the onset of an inverse-cascade process resulting from the nonlinear coupling of two discrete preseeded axial modes (400- and 550 - μm wavelengths) on an Al liner that is magnetically imploded using the 20-MA, 100-ns rise-time Z Machine at Sandia National Laboratories. Four radiographs captured the temporal evolution of the MRTI. We introduce a novel unfold technique to analyze the experimental radiographs and compare the results to simulations and to a weakly nonlinear model. We find good quantitative agreement with simulations using the radiation magnetohydrodynamics code hydra. Spectral analysis of the MRTI time evolution obtained from the simulations shows evidence of harmonic generation, mode coupling, and the onset of an inverse-cascade process. The experiments provide a benchmark for future work on the MRTI and motivate the development of new analytical theories to better understand this instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Conceptual Design and Economic Assessment of a Chitin Biorefinery Based on Shrimp Processing Wastes

Due to the extensive production of shrimp in captivity, waste generation has increased significantly and has become an environmental problem. The recovery of biomolecules can be an important way to mitigate the environmental problems associated with processing in this sector. In this sense, the present work aimed to evaluate a biorefinery approach for valuing shrimp farming waste to obtain astaxanthin, chitin and chitosan. Stoichiometric segmentation was used as a tool to identify the process steps, whose information on process variables (fresh water consumption, flow rate and reaction conditions) was adapted from the literature. A biorefinery coupled to a shrimp processing plant was proposed for the immediate use of highly perishable biomass, to guarantee the quality of the extracted products and reduce storage and transportation costs. In practice, the biomass treatment sequence adopted (demineralization followed by deproteinization) eliminates the depigmentation step, as the chitin obtained has a lighter tone. The proposed route was evaluated for four scenarios based on two indicators: gross economic potential (EGP) and metrics for inspection of sales and reagents (MISR). The results indicate that economic viability is achieved only for the production of chitosan, resulting in a gross revenue of US$832.50/cycle and a MISR value > 1. The sale of astaxanthin promotes an increase of US$3.73/cycle in the EGP, considered too low for the inclusion of another stage in the process.

astaxanthin↗