Thermodynamic Simulation Research Articles

Solubility of letrozole in eight pure and five mixed solvents: Measurement, thermodynamic and molecular simulation analysis

In this work, the solubility of letrozole within eight single and five binary solvents was first systematically investigated at 283.15 K to 323.15 K via the gravimetric method. Subsequently, four thermodynamics formulas including modified Apelblat, λh, GSM and Jouyban-Acree were utilized to link the experimental outcomes of letrozole, all models achieved the good fitting performance and the ARD% was less than 2 %. The dissolvability of letrozole in chosen solvents exhibited a positive correlation with temperature, and co-solvency was observed in such mixed solvent systems as ethyl acetate + 1-propanol, and acetonitrile + 1-propanol. Furthermore, the sites of hydrogen bonding donor and acceptor of letrozole and solvents were analyzed through the molecular electrostatic potential surfaces (MEPs). Then solvent effect, solvation free energy and radial distribution function (RDF) analysis gained via molecular simulation were utilized to illuminate experimental phenomena, the outcomes manifested the polarity, cohesive energy density and other properties of solvents along with both solvent–solvent and solute–solvent interactions contributed differently to the dissolution processes. In the end, the apparent thermodynamic identities concerning letrozole within chosen solvent systems were computed under the van’t Hoff and Gibbs formulas, and outcomes showed that dissolution concerning letrozole was a procedure of endothermic and entropy mainly driven.

Comparative performance analysis of recuperative helium and supercritical CO₂ Brayton cycles for high-temperature energy systems

This study presents a comprehensive comparative analysis of recuperative Brayton cycles utilizing helium (He) and supercritical carbon dioxide (sCO2) as working fluids for high-temperature power generation, focusing on applications in next-generation concentrated solar power (CSP) systems. Thermodynamic cycle simulations were conducted across a temperature range of 1000 K–2000 K, exploring the effects of low-side pressure (1 bar–100 bar) and expansion ratio (1–5) on key performance indicators. These indicators included thermal efficiency, net specific work output, mass flow rate, volumetric flow rate, and system irreversibilities. Results demonstrate that helium-based Brayton cycles exhibit superior thermal efficiency at high temperatures, reaching up to 65 %, compared to sCO2 cycles, which achieve efficiencies up to 55 %. This advantage stems from helium's higher specific heat capacity and lower pressure drops within the cycle. Conversely, sCO2 cycles demonstrate higher net specific work output due to the fluid's higher density, leading to more compact turbomachinery. The study further investigates the impact of irreversibilities, including pressure losses, leakage losses, and heat transfer losses, on cycle performance. A detailed analysis of multi-stage Brayton cycles incorporating intercoolers and reheaters reveals the potential for further efficiency enhancements in both helium and sCO2 systems. This research provides valuable insights for the design and optimization of high-temperature power generation systems, particularly for next-generation CSP plants. The findings highlight the trade-offs between working fluid properties and cycle configurations, guiding the selection of optimal solutions based on specific application requirements and operating conditions.

A Combined Experimental and Computational Study on the Effect of the Reactor Configuration and Operational Procedures on the Formation, Growth and Dissociation of Carbon Dioxide Hydrate

Clathrate hydrate-based technologies are considered promising and sustainable alternatives for the effective management of the climate change risks related to emissions of carbon dioxide produced by human activities. This work presents a combined experimental and computational investigation of the effects of the operational procedures and characteristics of the experimental configuration, on the phase diagrams of CO2-H2O systems and CO2 hydrates’ formation, growth and dissociation conditions. The operational modes involved (i) the incremental (step-wise) temperature cycling and (ii) the continuous temperature cycling processes, in the framework of an isochoric pressure search method. Also, two different high-pressure PVT configurations were used, of which one encompassed a stirred tank reactor and the other incorporated an autoclave of constant volume with magnetic agitation. The experimental results implied a dependence of the subcooling degree, (P, T) conditions for hydrate formation and dissociation, and thermal stability of the hydrate phase on the applied temperature cycling mode and the technical features of the utilized PVT configuration. The experimental findings were complemented by a thermodynamic simulation model and other calculation approaches, with the aim to resolve the phase diagrams including the CO2 dissolution over the entire range of the applied (P, T) conditions.

Tailoring the coefficient of thermal expansion in a functionally graded material: Al alloyed with Ti-6Al-4V using additive manufacturing

Functionally graded materials enable the spatial tailoring of properties through controlling compositions and phases that appear as a function of position within a component. The present study investigates the ability to reduce the coefficient of thermal expansion (CTE) of an aluminum alloy, Al 2219, through additions of Ti-6Al-4V. Thermodynamic simulations were used for phase predictions, and homogenization methods were used for CTE predictions of the bulk CTE of samples spanning compositions between 100 wt% Al 2219 and 70 wt% Al 2219 (balance Ti-6Al-4V) in 10 wt% increments. The samples were fabricated using directed energy deposition (DED) additive manufacturing (AM). Al2Cu and fcc phases were experimentally identified in all samples, and aluminides were shown to form in the samples containing Ti-6Al-4V. Thermomechanical analysis was used to measure the CTE of the samples, which agreed with the predicted CTE values from homogenization methods. The present study demonstrates the ability to tailor the CTEs of samples through compositional modification, thermodynamic calculations, and homogenization methods for property predictions.

Selective lithium recovery from waste lithium-ion batteries by H2SO4 roasting focused on process intensification and conversion mechanism

The purpose of this study is to prove the feasibility, efficiency and selectivity of lithium recovery from waste lithium-ion batteries (LIB) via sulfuric acid roasting-water leaching by thermodynamic analysis and experimental verification. The feasibility was proved by Gibbs free energy calculations and experiments. Then, the effects of H2SO4 concentration, roasting temperature and roasting time were assessed on the leaching rate of valuable metals. The results indicate that the leaching efficiency of lithium increases firstly and then decreases with the increase of H2SO4 concentration, roasting temperature and roasting time, more than 91 % lithium are leached under optimized experimental conditions: 50 wt% H2SO4, roasting temperature of 650°C, and roasting time of 2 h. Meanwhile, the selectivity of lithium is up to 88 % which means overwhelming majority lithium have been separated completely. In addition, the factors which cause sintering phenomenon such as high temperature and longtime roasting will change the microstructure of roasted product extremely, which is inconducive to the subsequent water leaching. The investigations of the phase conversion mechanism by thermodynamic simulation and instrumental characterization indicated that the leaching behaviors of valuable metals might be influenced by the different reaction pathways of the compounds while changing roasting conditions. The recovery process can be divided into two stages: the partial structure of LiNixCoyMnzO2 was destroyed to form metal sulfates at ambient temperature and the solid phase reaction between unreacted LiNixCoyMnzO2 which contained Li+ in the unstable layered structure with transition metal sulfates at high temperature. The fully reduced low-valence states are mainly (NiO)0.75(MnO)0.25 and CoO, and basically all Li within the crystalline LiNixCoyMnzO2 was de-intercalated and transformed to soluble Li2SO4. These results further confirm the advantages of H2SO4 roasting on selective Li recovery, and provide a better understanding of conversion mechanism by combining theory and experiments.

Redox reaction at buried ZnO/Ti thin film interface as seen by hard x-ray photoemission and thermal desorption spectroscopy

In the context of low-emissivity glazing, the redox reaction at a buried ZnO/Ti interface is studied in model nanometer-thick film stacks synthesized by magnetron sputtering deposition. For a given amount of Ti, the roles of annealing temperature up to 550 °C, of ZnO layer thickness, and of its crystalline quality are explored. The main originality of the approach is the use of hard x-ray photoemission spectroscopy to probe in situ chemical reactions at a buried interface in a non-destructive way. The detailed analysis of relevant core levels reveals the formation of a ZnxTiyOz ternary compound and the nearly complete oxidation of Ti into TiO2. Thanks to complementary measurements of thermal desorption spectroscopy and electron probe microanalysis, unexpected diffusion of the Zn redox reaction by-product through the upper part of the stack and its desorption in vacuum are clearly evidenced. The reaction and mass transport pathways are rationalized through thermodynamic simulations.

Efficient separation of diisopropyl ether and ethanol using green solvents: Thermodynamic analysis and process simulation

Ionic liquids (ILs) and deep eutectic solvents (DESs) were first proposed as green solvents to study and compare their azeotropic separation effects in diisopropyl ether (DIPE) and ethanol (EA). The COSMO-RS model was used to screen ILs/DESs, and the feasibility of the extractants were comprehensively analyzed in terms of viscosity, thermal stability, and toxicity. Experiments were carried out on selected ILs and DESs, and the results showed that the separation effect of ILs was significantly stronger than that of DESs. Quantum chemical calculations and molecular dynamics simulations were combined to comprehensively analyze and compare the microscopic mechanisms of extraction separation. Based on the experimental data, a DIPE-EA extraction-coupled separation process was designed. For the first time, life cycle analysis was used to comprehensively evaluate the impact of this process on human health and the environment from multiple perspectives, providing theoretical guidance for the separation of alcohol ethers in the industry.

Thermo-mechanical and phase prediction of Ni25Al25Co14Fe14Ti9Mn8Cr5 high entropy alloys system using THERMO-CALC

This study focuses on predicting phases and thermo-mechanical properties of NiAl-Ti-Mn-Co-Fe-Cr High Entropy Alloys (HEAs) using THERMOCALC software version 2021b with the TCHEA5 HEAs database. The thermodynamic simulation was used to investigate the phase formation and total hardness of the HEAs. The thermodynamic simulation result shows the presence of three major phases at room temperature, namely, BCC, SIGMA, and HEUSLER phases, with the BCC having a higher percentage of volume fraction of 62.4%. The activity of all components at high temperatures was studied, and the study shows Ni and Al to be stable at high temperatures, implying excellent mechanical properties are expected at high temperatures. The predicted total hardness is given as 96.2 HV.

Chemical shrinkage characteristics and prediction model of desulfurization electrolytic manganese residue-cement composite slurries

To reveal the chemical shrinkage (CS) characteristics of desulphurized electrolytic manganese residue (D-EMR) cement composite slurries, the CS was measured for slurries with different water-cement ratios (0.3 and 0.4) and varying D-EMR content (0 wt%, 5 wt%, 10 %, 15 wt%, 20 wt%, 25 wt%, and 30 wt%) using the expansion method. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and backscattered electron (BSE) image analysis were used to investigate the hydration products and pore porosity at different stages. In addition, the correlation between CS and hydration products was simulated using GEMS thermodynamics. The results indicate that as the water-cement ratio increases, the CS of D-EMR cement composite slurries increases significantly. At a water-cement ratio of 0.4, the CS decreases with increasing D-EMR replacement levels before 1829 h of hydration, but this trend reverses after 1829 h. At 8 days, the CS values for replacement levels of 5 wt%, 10 wt%, 15 wt%, 20 wt%, 25 wt%, and 30 wt% were 97.2 %, 94.9 %, 87.3 %, 84.4 %, 81.5 %, and 78.6 % of those of the pure cement pastes, respectively. The corresponding limiting chemical shrinkage values were 0.0712 mL/g, 0.0725 mL/g, 0.0742 mL/g, 0.0756 mL/g, 0.0769 mL/g, and 0.0780 mL/g. Finally, the prediction of long-term CS of D-EMR cement composite slurries is well described by both hyperbolic function prediction and thermodynamic simulations. These findings provide valuable theoretical support for the use of D-EMR as a supplementary cementitious material in construction.

New elucidating into the microstructural evolution mechanisms and micromechanical properties of C4AF and gypsum synergistic hydration

Increasing the C4AF content significantly enhances the sulfate and impact resistance of Portland cement-based materials. However, the research on the microstructural evolution mechanisms and micromechanical properties of the binary synergistic hydration products of C4AF and gypsum is not yet sufficiently deep. This study employed thermodynamic simulations, phase structure characterization, and nanoindentation techniques to investigate the microstructure evolution of gypsum-assisted C4AF hydration. Results indicated that the final hydration product of C4AF, C3(A,F)H6, formed through the stacking of lamellar OH-AFm phases. The addition of gypsum altered the formation pathway of C3(A,F)H6, causing it to precipitate directly from an amorphous iron-aluminum gel, which resulted in smaller particles with higher crystallinity. Gypsum also filled pores in the hydration products, thereby positively influenced their micromechanical properties.

Recovery of vanadium element from wastewater of petroleum refineries using effective adsorbent: Mathematical approach via isothermal, kinetics and thermodynamic simulation

Adsorption behavior can be determined using different essential studies such as adsorption isotherm, kinetics, and thermodynamics. In this study, adsorption isotherm models, and kinetic, and thermodynamics studies are used to describe the use of alumina as an effective adsorbent and a remover of vanadium (V+5) ions from aqueous solutions contaminated by this metal. The aqueous solutions used simulate the wastewater of most traditional oil refineries. Efficiency can be determined by comparing the correlation coefficients of the linear relationships used with each model. Using alumina, the perfect removal of vanadium ions was achieved. Vanadium removal increases with an increase in the operating conditions, which are time temperature, agitation speed, pH, and adsorbent’s media dose. However, it also increases with the elimination of the initial concentration. This study shows that the vanadium’s adsorption based on the Langmuir isotherm model gives a correlation coefficient of 0.9999, while when it is based on the Temkin and Freundlich isotherms the correlation coefficient is less. Hence, adsorption on the surface of alumina takes place in monolayer surfaces with a regular distribution of particle’s binding energy and a narrow quantity of identical sites on the surface of alumina. Subsequently, the kinetic study shows that the adsorption behavior matched the pseudo-second-order kinetic model with R2 equaling 0.9999. Also, thermodynamics studies approves that the adsorption is a spontaneous endothermic process of enthalpy change.

Design of Tools for Visualizing Thermodynamic Concepts in Steam Power Plant Trainer Processes with Web-Based Exploratory Data Analysis (EDA)

Thermodynamics is considered one of the most complex and challenging subjects for many students. This is primarily due to comprehending abstract concepts such as entropy, enthalpy, and energy flow, which involve complex mathematical equations and are rarely accompanied by tangible visualizations. This research aims to design, develop, and test a data-based visualization tool for thermodynamics testing results. This study collected and processed data from thermodynamics testing and simulations, such as the mini-steam power plant trainer used as a teaching aid in thermodynamics education, as the foundation for designing a data-based visualization tool for thermodynamics concepts. The visualization tool was created using the Python programming language integrated with the web-based Streamlit framework. The designed visualization tool encompasses various features, including automated data reporting, visualization of variable correlations using correlation heatmaps, Sankey diagrams for visualizing energy flow, and the capability to predict electrical output using machine learning integrated with three different machine learning algorithms. The visualization tool was evaluated by thermodynamics experts using a Likert scale. Based on the results obtained, the experts gave an average score of 4 in the information accuracy aspect in the good category. This shows that the information displayed in this visualization tool is by thermodynamics learning at Padang State University. In the visualization aspect, experts gave an average score of 4.25, which is in the Good and Very Good range. In alignment with the education aspect, experts gave an average score of 3.75, which is close to the good category. This shows that this aspect is considered suitable for studying thermodynamics, although shortcomings still need to be corrected. Experts gave a relatively high assessment of the Ease-of-Use aspect, with an average score of 4.5, with a range of Good and Very Good. This enables students to better understand complex patterns, cause-and-effect relationships, and parameter changes within thermodynamics concepts.

Coupled computational fluid dynamics and computational thermodynamics simulations for fission product retention and release: A molten salt fast reactor application

This study presents a computational capability for fission product retention and release in two-phase, multi-species systems representing Molten Salt Reactors (MSR) with coupled thermal-hydraulics and fuel coolant chemical behaviours. This is demonstrated through four simulated cases centred on the proposed Molten Salt Fast Reactor (MSFR). This is achieved by two-way coupling the Computational Fluid Dynamics (CFD) code OpenFOAM and the Computational Thermodynamics (CT) code Thermochimica, using the Joint Research Centre Molten Salt Database (JRCMSD). Local chemical equilibrium is assumed, implying that chemical kinetics are predominantly governed by mass transport. Four simulations address normal operating conditions, exploring: (i) dilution of fission products injected within the molten salt coolant, (ii) molten salt coolant evaporation rate, (iii) release of radioactive gaseous species, (iv) shifts in the UF4/UF3 ratio, and (v) comparison of vapour pressures of gaseous species. The influence of temperature-dependent viscosity on retaining fission products, compared to consistent values, is also discussed. The feasibility of integrating CFD with Thermochimica showed promising results, broadening insights into multiphysics systems and setting the stage for its application in more intricate scenarios.

Machine learning-driven insights into phase prediction for high entropy alloys

The unique properties of high-entropy alloys (HEAs) have attracted considerable attention, largely due to their dependence on the choice among three distinct phases: solid solution (SS), intermetallic compound (IM), or a blend of both (SS + IM). For this reason, precise phase prediction is key to identifying the optimal element combinations needed to develop HEAs with the required characteristics. Due to large compositional domain of HEAs is opportune to design new HEAs with desired output. A machine learning tool is exploited to discover and characterize high entropy alloys with satisfying targets. Herein, a method of designing substitutional high entropy alloys with optimization of input features and predict their phase formation, using different ML algorithms are proposed. The ML models such as multi layer precreptron MLP, Decision Tree (DT), Random Forest (RF), Gradient Boosting (GB), KNN, XGB nad SVM Classifier algorithm were used for the identifying the phase of HEAs. After assessing the accuracy and tuning of each model, an random forest classifier (accuracy = 0.914. precision = 0.916, ROC-AUC score = 0.97) model showed the best predictive capabilities for phase prediction. The new HEA was designed based on prediction and successfully validated with thermodynamic simulation. Data AvailabilityData will be made available on request

Impact of Overpressure on the Preservation of Liquid Petroleum: Evidence from Fluid Inclusions in the Deep Reservoirs of the Tazhong Area, Tarim Basin, Western China

The complexity of petroleum phases in deep formations plays an important role in the evaluation of hydrocarbon resources. Pressure is considered to have a positive impact on the preservation of liquid oils, yet direct evidence for this phenomenon is lacking in the case of deep reservoirs due to late destruction. Here, we present fluid-inclusion assemblages from a deep reservoir in the Tazhong area of the Tarim Basin, northwestern China, which formed as a direct consequence of fluid pressure evolution. Based on thermodynamic measurements and simulations of the coexisting aqueous and petroleum inclusions in these assemblages, the history of petroleum activities was reconstructed. Our results show that all analyzed fluid-inclusion assemblages demonstrated variable pressure conditions in different charging stages, ranging from hydrostatic to overpressure (a pressure coefficient of up to 1.49). Sequential petroleum charging and partial oil cracking may have been the main contributors to overpressure. By comparing the phases of petroleum and fluid pressures in the two wells, ZS1 and ZS5, it can be inferred that overpressure inhibits oil cracking. Thus, overpressure exerts an important influence on the preservation of liquid hydrocarbon under high temperatures. Furthermore, our results reveal that the exploration potential for liquid petroleum is considerable in the deep reservoirs of the Tarim Basin.

The etching effect of oxygen during the cooling process of graphene CVD synthesis

Chemical vapor deposition provides a promising approach for the growth of large-area, high-quality graphene on Cu substrates. Oxygen plays either positive or negative roles for graphene synthesis, which have been extensively investigated predominantly focusing on graphene nucleation and growth stages. This study investigates the influence of oxygen during the cooling phase and demonstrates that graphene is more resistant to oxygen at higher temperatures but becomes susceptible to etching as the temperature decreases, unless it is too low. Thermodynamic simulations reveal that at elevated temperatures, oxygen is consumed by methane in the gas phase, leading to the generation of reactive carbon species that promote graphene growth and inhibit etching. Additionally, the etching reactivity of graphene is found to be correlated with the surface orientation of the underlying Cu grains. These findings suggest that defects in graphene can arise during the cooling stage if oxidant impurities in the atmosphere are not adequately controlled. Strategies to suppress graphene etching during cooling, such as reducing oxidant impurities and increasing cooling rates, are also presented.

Study on Oxygen-Enriched Combustion Characteristics of Blast Furnace Gas Boiler

ABSTRACT To study the dynamic characteristics of OEC (oxygen-enriched combustion) in a BFG (blast furnace gas) boiler, the BFG boiler of an iron and steel enterprise is taken as the research object, and a thermal test bed for OEC of BFG is set up, and a thermodynamic simulation model of the BFG boiler is constructed based on the heat loss of chemical incomplete combustion obtained from thermal test, using MSP (Multi-Subject Simulation Platform). The effects of OC (oxygen concentration) and the position of oxygen entering the furnace chamber on the key parameters of the OEC process of the BFG boiler under different working conditions were analyzed. The results showed that the excess air coefficient of 1.2 and exhaust temperature of 120°C was kept constant during the thermal test. With a fuel volume of 2.4 Nm3/h, for example, after the OC was increased from 21% to 40%, the combustion flame temperature in the furnace was increased by about 34°C, the heat loss due to unburned gas was reduced by 0.21%, and the boiler efficiency was increased by 1.38%. In the dynamic model, at the instant when the OC is changed, the disturbance of the whole system is relatively large, and the FAT (furnace average temperature) outlet, the pressure of the steam ladle, and the MST (main steam temperature) will have a step change, and then gradually level off again. With the increase of OC, the combustion reaction is more and more intense, the steam side of the heat transfer process is strengthened, the boiler efficiency is improved, and the FAT chamber outlet, the steam ladle pressure and the MST after OEC in different ways of oxygen entry into the furnace chamber will be longer and longer to reach a stable value. The results of the study can provide a reference for the OEC operation of BFG boilers.

Changes in Four Decades of Near‐CONUS Tropical Cyclones in an Ensemble of 12 km Thermodynamic Global Warming Simulations

AbstractWe evaluate tropical cyclones (TCs) in a set of thermodynamic global warming (TGW) simulations over the continental United States (CONUS). A 12 km simulation forced by ERA5 provides a 40‐year historical (1980–2019) control. Four complimentary future scenarios are generated using thermodynamic deltas applied to lateral boundary, interior, and surface forcing. We curate a data set of 4,498 6‐hourly TC snapshots in the control and find a corresponding “twin” in each counterfactual, permitting a paired comparison. Warming results in an increase in mean dynamical TC intensity and moisture‐related quantities, with the latter being more pronounced. TC inner cores contract slightly but outer storm size remains unchanged. The frequency with which TCs become more intense is only moderately consistent, with snapshots having increased hazards ranging from 50% to 80% depending on warming level. The fractions of TCs undergoing rapid intensification and weakening both increase across all warming simulations, suggesting elevated short‐term intensity variability.

The study on characterization of interaction between casticin and model proteins using spectroscopic and computational methodologies

The present studies were conducted to investigate the interaction of casticin to model proteins (BSA, HSA, OVA and HEL) using fluorescence spectra, Fourier transform infrared spectra, molecular docking and molecular dynamics simulation methodologies. Our work displayed that the endogenous fluorescence intensities of BSA, HSA, OVA and HEL were quenched by various concentrations of casticin were the typical static quenching process. The binding constants (Ka) of casticin for these model proteins were in the range of 104–105 mol·L-1, with the highest affinity for HSA. On the basis of thermodynamic parameters and computational simulation studies, it was suggested that the binding force of casticin to BSA, HSA, OVA and HEL were mainly hydrogen bonds, van der Waals forces and hydrophobic interactions. The spectral results illustrated that the binding of casticin to BSA, HSA, OVA and HEL induced conformational and microenvironmental changes. Casticin could decrease the α-helix percentages of BSA, HSA and OVA, but increase that of HEL. Binding substitution studies confirmed that casticin bound to the Sudlow site I of BSA and HSA. Molecular docking predicted the binding models of casticin to BSA, HSA, OVA and HEL, followed closely by molecular dynamic simulations to assess the binding stability.

Study of phase evolution, mechanical, and tribological behaviour of a novel β-phase strengthened Ti-alloy with Fe and Co alloying via a laser material deposition route

A new Ti64-Fe-Co alloy was studied via a laser-material-deposition method. Associated with high growth restriction factors, β-eutectoid (Fe, Co) alloying minimizes anisotropy (due to the prior columnar β-grain growth) in the laseradditive -manufacturing (AM) built Ti-parts along with enhanced properties. Fe alloying for Ti64 via laser-AM results in superior strengthening with reduced ductility, where a good combination of strength and elongation properties can be achieved for a Ti-Fe-Co system. However, studies on Ti-Fe-Co-based systems via laser processing are limited. Co possesses a similar electronic property as Fe and the Ti-Fe system accompanies further solute addition. The effect of Co alloying the Ti64-Fe system was investigated in this study via a pre-placed laser-material-deposition method. A Ti64–5Fe-5Co alloy was formulated referring to CALPHAD simulations, along with a Ti64–10Fe composition. The new Ti-alloys were fabricated via both the laser-material-deposition and conventional vacuum arc melting routes, and the characteristics of the fabricated samples were examined. XRD analysis shows the evolution of the β-Ti phase with Fe and Co alloying, which agrees with the thermodynamic phase simulation results. The corresponding SEM micrographs depicted a β-phase dominant matrix with α-dendrites, and the solidification path was discussed. Considerable grain refinement was obtained for the laser-deposited alloys compared to the arc-melted ones, with an improved hardness value twice that of the commercial Ti64. A reduced stiffness for the laser-deposited Ti64–5Fe-5Co was observed from the load-vs-displacement characteristics, indicating matrix softening with Co alloying, which might benefit the elongation properties. The studied Ti-alloy shows a 30 % improvement in the dry-sliding wear characteristic with reduced fretting and abrasion compared to the commercial Ti64. The studied Ti-alloys were located in the theoretical d-electron space and new (Bo) ̅-(Md) ̅ vectors were introduced. Further studies on this would help in extending the applicability of laser-AM-built Ti-components.