Abstract

Carbon nanotube (CNT) nanofluids are promising working media for next-generation thermal management, yet reliable prediction of their effective thermal conductivity remains difficult because classical models inadequately represent CNT anisotropy, realistic three-dimensional (3D) dispersion, and interfacial heat-transfer barriers. This study aims to improve the predictive capability of a widely used CNT-nanofluid model by explicitly incorporating (i) true 3D random CNT orientation and (ii) Kapitza (interfacial) thermal resistance. The methodology derives the orientation-averaged effective CNT conductivity using isotropic 3D averaging (yielding an α = 1/3 projection factor) and introduces a physically motivated Kapitza resistance term into the CNT contribution, producing a modified closed-form expression for the nanofluid thermal conductivity ratio. The model is validated against three representative experimental datasets spanning polar and non-polar base fluids (water, ethylene glycol, and R113). Across these cases, the proposed model reduces the mean absolute percentage error to 13.92% compared with 27.09% for the reference formulation, and decreases the root mean square error from 0.362 to 0.225, indicating both improved accuracy and reduced prediction variability. The results show particularly strong improvement for systems where interfacial effects are influential, supporting the model's physical realism. Overall, the proposed framework provides a more defensible and practical tool for designing CNT-based nanofluids in applications where Kapitza-dominant heat-transfer limitations must be captured.

1. Introduction

Thermal management has become a central design constraint in many contemporary technologies, including high-power microelectronics, compact heat exchangers, electrified transportation, and renewable-energy conversion systems, where escalating heat fluxes must be dissipated reliably within tight mass, volume, and energy budgets. In this context, nanofluids, engineered suspensions of nanoscale additives dispersed in conventional base liquids, have been widely explored as an enabling route to enhance heat-transfer performance beyond that of pure fluids such as water, ethylene glycol, refrigerants, and oils [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]. Although the reported enhancements are often attractive, the translation of nanofluids into design practice remains limited by a persistent gap between measured thermophysical behavior and the predictive capability of closed-form models used for sizing, optimization, and uncertainty-bounded engineering calculations.

In parallel with these conductivity-driven motivations, recent nanofluid studies increasingly emphasize advanced transport modeling under complex physics, including stretching-sheet configurations, slip and permeability effects, internal heat generation/absorption, electromagnetic body forces, non-Newtonian rheology, and even machine-learning-assisted prediction. Representative examples include ternary hybrid nanofluid flow over a symmetrically stretching sheet with an optimization and machine-learning prediction scheme, thermodynamic activity analyses of ternary nanofluid flow over permeable slipped surfaces with heat source/sink terms, carbon nanotube (CNT)-nanofluid natural convection formulated with Prabhakar-like thermal transport, Lorentz-force/thermoelectric influences on CuO–water nanofluid flow over a paraboloid geometry, and electromagnetohydrodynamic tangent-hyperbolic nanofluid flow over a stretching Riga surface incorporating Dufour and activation-energy effects [11, 12, 13, 14, 15]. While these works focus primarily on boundary-layer transport and coupled multiphysics settings, they collectively reinforce a central message: nanofluid performance prediction is only as reliable as the physical realism embedded in the governing models. This modeling requirement is especially acute for CNT nanofluids, where anisotropy, orientation statistics, and CNT–fluid interfacial resistance can dominate the effective thermal conductivity response.

Among the broad family of nanofluid additives, CNTs (including single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs)) are especially compelling because of their exceptionally high intrinsic axial thermal conductivity and extreme aspect ratio, which can facilitate notable conductivity augmentation at low loading levels [16, 17, 18, 19, 20, 21, 22, 23, 24, 25]. At the same time, CNT-based nanofluids are also among the most challenging systems to model credibly. Unlike spherical particles that motivate classical effective-medium theories, CNTs exhibit strong anisotropy (very high conductivity along the tube axis and much lower radial conductivity), and their contribution depends sensitively on how individual tubes are oriented and dispersed within the liquid. Moreover, nanoscale heat transport is governed not only by the conductivity of the solid phase, but also by the thermal coupling across the CNT–fluid interface, which can substantially throttle the effective heat flux, particularly in dilute systems and for small-radius CNTs. Conventional nanofluid conductivity models (e.g., Maxwell-type or Hamilton–Crosser-type approaches) were developed primarily for isotropic or near-spherical inclusions and therefore struggle to represent CNT geometry and anisotropy in a physically faithful manner. As a result, a substantial body of literature has proposed CNT-specific formulations and modifications that attempt to embed size effects, aspect-ratio dependence, and simplified orientation assumptions [26, 27, 28, 29, 30, 31, 32, 33, 34, 35]. A representative and widely used framework is the model of Thang et al. [36], which introduces a size-effect term through the ratio of the base-fluid molecular radius to the CNT radius and adopts a “random” orientation treatment via an effective CNT conductivity term. More specifically, they developed a model that accounts for the size effect through the ratio of fluid molecule radius to CNT radius (rm/rCNT) and incorporates a 2D-like random orientation assumption (keff-CNT = 12kCNT). Their model, expressed as:

(1) k eff - CNT k m = 1 + 1 3 k CNT f r m k m ( 1 - f ) r CNT

Where:

- keff-CNT: effective thermal conductivity of the CNTs in the direction of heat flow (W/mK).

- km: base fluid’s thermal conductivity, serves as the baseline, normalizing the enhancement and reflecting the fluid’s intrinsic heat transfer capability in the model’s parallel heat flow framework.

- kCNT: intrinsic thermal conductivity of the CNTs along their axis (e.g., 1800 W/mK).

- f: concentration of CNTs in the nanofluid, typically small (e.g., 0.002 to 0.005) in dilute systems.

- rm: effective radius of the base fluid molecules, captures size effects, ranging from 0.1 nm (water) to 0.12 nm (ethylene glycol).

- rCNT: radius of the CNT (m), e.g., 0.75 nm for SWCNTs, 7.5–12.5 nm for MWCNTs.

The model has shown reasonable agreement with experimental data for dilute CNT nanofluids, achieving a mean absolute percentage error (MAPE) of approximately 27.09% in certain validations. However, this model has two critical limitations that motivate the present study: (i) the 2D-like orientation assumption overestimates the effective CNT conductivity for truly random 3D dispersions, and (ii) the omission of interfacial thermal (Kapitza) resistance leads to systematic overprediction when phonon-scattering barriers dominate, especially for small-radius CNTs and weakly wetting/non-polar fluids. Therefore, this study aims to address these shortcomings and improve the predictive accuracy of Thang et al.’s formulation [36].

Research gap: existing CNT-nanofluid conductivity models (including Thang et al. [36]) do not simultaneously represent true 3D isotropic CNT orientation and CNT–fluid interfacial thermal resistance, despite both effects being central error sources in dilute, Kapitza-dominant systems.

Novelty/contributions: we (1) derive an orientation-averaged effective CNT conductivity using a physically consistent 3D projection factor α = 1/3 (instead of a 2D-like factor), and (2) incorporate Kapitza resistance (Rk) directly into the effective CNT term using literature-based interface resistance values, thereby introducing a more realistic heat-transfer bottleneck into the model.

Significance: the resulting closed-form model improves agreement with experiments across representative polar and non-polar datasets (water, ethylene glycol, R113), achieving lower aggregate error (e.g., MAPE and root mean square error (RMSE)) than the reference model, which supports its utility for thermal-design tasks where interfacial limitations govern performance.

We acknowledge that the isotropic 3D orientation-averaging result (α = 1/3) is a standard outcome in composite/tensor averaging theory, and that representing CNT–fluid interfacial limitations via a Kapitza-resistance term is also well established. The novelty of the present work therefore does not lie in introducing these concepts per se, but in their CNT-nanofluid–specific, closed-form integration into the widely used Thang et al. [36] size-effect framework, which previously relied on a 2D-like orientation factor and neglected interfacial resistance. By embedding both corrections in a minimal-parameter expression while preserving analytical simplicity, the proposed formulation yields a materially improved, design-grade predictive tool, as evidenced by the substantial reduction in error metrics (e.g., MAPE/RMSE) under a fair, like-for-like validation against representative datasets.

Moreover, to situate the proposed expression within the broader composite-theory literature, it is worth noting that established effective-medium frameworks (e.g., modified Maxwell/EMT and Nan-type formulations) can incorporate interfacial thermal resistance via a thermal boundary (Kapitza) condition; therefore, the resistance-like penalty introduced here is consistent with classical boundary-resistance treatments. However, those frameworks are typically posed for generic inclusions and are expressed using depolarization/shape factors and additional microstructure descriptors, whereas the baseline adopted in this study (Thang et al. [36]) is a CNT-nanofluid correlation that also embeds a molecular size-effect scaling through rm/rCNT and is widely used in CNT-nanofluid studies. Accordingly, the present work should be interpreted as a physics-consistent correction/extension of the Thang et al. [36] formulation: we retain its CNT-specific structure and minimal input set (km, kCNT, f, rm, rCNT), while enforcing a true 3D isotropic orientation projection (α = 1/3) and embedding Kapitza resistance within the effective CNT term, thereby preserving the closed-form simplicity required for design-grade prediction.

2. Materials and Methods

The proposed formulation is obtained by starting from the closed-form framework of Thang et al. [36], which expresses the nanofluid conductivity enhancement as a CNT contribution superimposed on the base-fluid conductivity and includes a size-effect term via rm/rCNT. The modification proceeds in two steps. Step 1 (3D orientation averaging): CNT axes are assumed isotropically distributed in three dimensions, and the mean projection of the CNT axial heat-flux contribution onto the macroscopic heat-flow direction is computed by averaging over the unit sphere. This yields the standard isotropic result nx2=1/3, introduced as a multiplicative orientation factor α = 1/3 in the effective CNT conductivity term. Step 2 (interfacial/Kapitza resistance): CNT–fluid interfacial thermal resistance Rk is incorporated through a temperature-jump (thermal boundary resistance) condition at the CNT surface, introducing an additional series-like resistance to heat transfer between the CNT and the surrounding liquid. This leads to the penalty term 1+(RkkCNT/rCNT), which reduces the effective CNT contribution when interfacial coupling is weak and becomes more influential for smaller rCNT.

For validation, predictions of ke/km are computed using the reported CNT radius and concentration for each dataset and representative Rk values consistent with each CNT–fluid pair. Agreement is quantified using MAPE and RMSE over all experimental points, and the proposed model is compared against Thang et al.’s [36] predictions using identical inputs to ensure a fair comparison.

2.1 Effective Conductivity (ke⁢f⁢f-C⁢N⁢T)

In CNT-based nanofluids, the high thermal conductivity of CNTs (kCNT, typically 600–3000 W/mK) contributes significantly to the overall heat transfer. However, CNTs are cylindrical particles with anisotropic thermal conductivity: their conductivity is exceptionally high along the tube axis but much lower perpendicular to it. In a nanofluid, CNTs are dispersed and oriented randomly in 3D space, meaning their axes point in all directions with equal probability. The effective thermal conductivity of the CNTs (keff-CNT) in the direction of the applied temperature gradient (e.g., along the x-axis) must account for this random orientation, as only the component of the CNT’s conductivity aligned with the gradient contributes to heat flow.

2.1.1 Define the CNT Orientation

Consider a single CNT with its axis oriented along a unit vector n, defined in spherical coordinates by angles θ (polar angle from the z) and ϕ (azimuthal angle in the xy-plane):

(2) n = ( sin θ cos ϕ , sin θ sin ϕ , cos θ )

The CNT’s thermal conductivity along its axis is kCNT, while perpendicular to the axis, it is typically negligible (assumed zero for simplicity, as CNT radial conductivity is orders of magnitude lower). The heat flow in the nanofluid is driven by a temperature gradient T, assumed along the x-axis for convenience:

(3) T = - d T d x e x ; e x = ( 1 , 0 , 0 )

The heat flux qCNT through the CNT depends on the component of the temperature gradient along the CNT’s axis. The projection of T onto n is:

(4) ( T n ) n = - d T d x ( e x n ) n

Where:

(5) e x n = sin θ cos ϕ

2.1.2 Heat Flux Along the CNTs

The heat flux along the CNT’s axis is proportional to the axial component of the temperature gradient:

(6) q CNT = - k CNT ( T n ) n = k CNT d T d x ( sin θ cos ϕ ) n

We are interested in the x-component of the heat flux, as it contributes to the effective thermal conductivity in the direction of T:

(7) q CNT , x = q CNT e x = k CNT d T d x ( sin θ cos ϕ ) ( n e x ) = k CNT d T d x ( sin θ cos ϕ ) 2

2.1.3 Average Over All Orientations

For a 3D random orientation, the CNTs are equally likely to point in any direction. The probability density of orientations is uniform over the unit sphere, with the differential solid angle element:

(8) d Ω = sin θ d θ d ϕ

The total solid angle of the sphere is:

(9) 0 2 π 𝑑 ϕ 0 π sin θ d θ = 2 π [ - cos θ ] 0 π = 2 π ( 1 - ( - 1 ) ) = 4 π

The probability density function is thus 14π, and the average of any function f(θ,ϕ) over all orientations is:

(10) f = 1 4 π 0 2 π 𝑑 ϕ 0 π f ( θ , ϕ ) sin θ d θ

For the x-component of the heat flux, we need the average of (sinθcosϕ)2:

(11) ( sin θ cos ϕ ) 2 = 1 4 π 0 2 π 𝑑 ϕ 0 π ( sin θ cos ϕ ) 2 sin θ d θ = 1 4 π 0 2 π cos 2 ϕ d ϕ 0 π sin 3 θ d θ

Evaluate the ϕ-integral:

(12) cos 2 ϕ = 1 + cos 2 ϕ 2

(13) 0 2 π cos 2 ϕ d ϕ = 0 2 π 1 + cos 2 ϕ 2 𝑑 ϕ = 1 2 [ ϕ + sin 2 ϕ 2 ] 0 2 π = 1 2 ( 2 π + 0 ) = π

Evaluate the θ-integral:

(14) 0 π sin 3 θ d θ = 0 π sin θ ( 1 - cos 2 θ ) 𝑑 θ

Use substitution: u = cosθ, du = –sinθ dθ;

Limits: θ=0➔ u = 1, θ=π ➔ u = –1.

0 π sin 3 θ d θ = 1 - 1 ( 1 - u 2 ) ( - d u ) = - 1 1 ( 1 - u 2 ) 𝑑 u = [ u - u 3 3 ] - 1 1 = ( 1 - 1 3 ) - ( - 1 + 1 3 ) = ( 1 - 1 3 ) - ( - 1 + 1 3 ) = 2 3 + 2 3 = 4 3

Combine:

(15) ( sin θ cos ϕ ) 2 = 1 4 π π 4 3 = 1 4 4 3 = 1 3

This result is the average projection factor for the x-direction. Due to isotropy, the same factor applies for the y- or z-directions:

(16) ( sin θ sin ϕ ) 2 = cos 2 θ = 1 3

2.1.4 Effective Thermal Conductivity

The average x-component of the heat flux is:

(17) q CNT , x = k CNT d T d x ( sin θ cos ϕ ) 2 = k CNT d T d x 1 3

The effective thermal conductivity keff-CNT relates the average heat flux to the temperature gradient:

(18) q CNT , x = k eff - CNT d T d x

Equating:

(19) k eff - CNT d T d x = k CNT d T d x 1 3 k eff - CNT = 1 3 k CNT

Physical Interpretation: The 13 factor arises because, in 3D, the CNT’s axis is equally likely to align with any direction, and only one-third of its conductivity contributes to any given axis (e.g., x-direction) on average. This is a consequence of the isotropic averaging over the unit sphere, where the squared cosine of the angle between the CNT axis and the heat flow direction averages to 13. In contrast, the 12 factor in 2D assumes a higher contribution because the CNTs are constrained to a plane, increasing their alignment with the heat flow direction.

2.2 Kapitza Resistance (Rk)

The form of Kapitza resistance in the new model appears in the expression for the effective CNT thermal conductivity given in Eqn. 20:

(20) k eff - CNT = 1 3 k CNT 1 + R k k CNT r CNT

Rk is the Kapitza resistance (m2K/W); literature commonly reports values on the order of 0.5 × 10-8–3.0 × 10-8 for CNT–fluid interfaces, and the present study adopts representative values within this range for each case (explicitly listed in Section 3).

Physical Interpretation: The form of Kapitza resistance in the denominator of the effective CNT thermal conductivity, as 1+RkkCNTrCNT, originates from the physics of heat transfer across the CNT-fluid interface, where Rk represents the interfacial thermal resistance due to phonon scattering or molecular interaction mismatches. For a cylindrical CNT, the heat flow along the axial direction encounters a resistive barrier at the interface, proportional to Rk, which is normalized by the CNT’s surface area. The term RkrCNT arises because the effective thermal resistance of the interface scales inversely with the CNT radius (rCNT), reflecting the higher surface-to-volume ratio for smaller CNTs (e.g., SWCNTs), which amplifies the impact of the boundary resistance. Multiplying by the intrinsic CNT conductivity (kCNT) makes the term dimensionless, comparing the interfacial resistance to the CNT’s bulk conductivity, akin to a Biot number for thermal transport. This results in an effective conductivity that accurately captures the bottleneck in heat transfer across the interface, particularly for small-radius CNTs or high-Rk fluids. Because the interfacial penalty scales with the dimensionless group RkkCNT/rCNT, uncertainty in Rk has the greatest influence when rCNT is small (e.g., SWCNTs), and this sensitivity is noted explicitly in the case-based discussion.

From a composite heat-transfer standpoint, Eqn. 20 can be interpreted as the closed-form consequence of a standard boundary-value description for a highly conductive cylindrical inclusion embedded in a fluid matrix, where the CNT–fluid interface is modeled by a thermal boundary resistance (temperature-jump) condition. In this interpretation, the interfacial resistance appears as a series bottleneck between the CNT core and the surrounding fluid, leading to the dimensionless penalty RkkCNT/rCNT, which is the same interfacial-resistance group that arises in classical interface-modified effective-medium treatments.

2.3 The New Model

The baseline expression (Eqn. 37 in Thang et al. [36]) is written in terms of an effective CNT contribution keff-CNT; in the present work, the modification enters through a physically defined keff-CNT based on 3D isotropic orientation averaging and an interfacial (Kapitza) thermal boundary resistance:

(21) k e k m = 1 + 2 3 k eff - CNT f r m k m ( 1 - f ) r CNT

Introducing the 3D-averaged and interface-limited effective CNT conductivity from Eqn. 20 into the Thang et al. [36] baseline expression (Eqn. 21) yields:

(22) k e k m = 1 + 2 3 1 3 k CNT 1 + R k k CNT r CNT f r m k m ( 1 - f ) r CNT

Simplify:

(23) k e k m = 1 + 2 9 k CNT 1 + R k k CNT r CNT f r m k m ( 1 - f ) r CNT

The appearance of the interfacial penalty 1+RkkCNT/rCNT is consistent with the structure obtained in interface-modified Maxwell/EMT-type formulations (and Nan-type treatments) that incorporate thermal boundary resistance, while the overall expression here retains the CNT-nanofluid size-effect architecture of Thang et al. [36] through rm/rCNT.

3. Results

The selection of the three datasets, CNTs in water (Wu et al. [37]), MWCNTs in ethylene glycol (Hwang et al. [38]), and MWCNTs in R113 (Jiang et al. [39]), for comparing Thang et al.’s [36] model with the new model was deliberate, as these systems highlight the critical role of Kapitza resistance in CNT-based nanofluids, aligning with the new model’s focus on interfacial effects. The CNTs-in-water dataset, featuring SWCNTs with a small radius (rCNT = 0.75 nm), exemplifies a high surface-to-volume ratio where Kapitza resistance significantly limits thermal conductivity enhancement, making it ideal to test the new model’s correction for interfacial barriers. The ethylene glycol dataset, with MWCNTs in a viscous fluid, represents a moderate Kapitza resistance scenario, allowing evaluation of the model’s performance in industrially relevant fluids. Lastly, the R113 dataset, involving a non-polar refrigerant, was chosen due to its expected high Kapitza resistance (Rk = 3.0 × 10-8 m2K/W), testing the model’s ability to handle poor CNT-fluid interactions, a common challenge in advanced nanofluid applications. A ±50% variation in Rk produces a ±50% variation in the dimensionless interfacial penalty RkkCNT/rCNT, so the predicted enhancement is inherently most sensitive to Rk in small-radius and weak-wetting/non-polar systems.

Case 1: SWCNTs in Water [37]: km = 0.6, rm = 0.1 nm, rCNT = 0.75 nm, f = 0.002.

Case 2: MWCNTs in Ethylene Glycol [38]: km = 0.26, rm = 0.12 nm, rCNT = 10 nm, f = 0.004.

Case 3: MWCNTs in R113 [39]: km = 0.068, rm = 0.115 nm, rCNT = 7.5 nm, f = 0.005.

In this study, the literature-based Kapitza resistances used for the three cases are: Rk = 0.5 × 10-8 m2K/W (SWCNTs–water), Rk = 1.0 × 10-8 m2K/W (MWCNTs–ethylene glycol), and Rk = 3.0 × 10-8 m2K/W (MWCNTs–R113). The experimental values and the corresponding predictions from the two models are summarized in Table 1 (Ref. [36]). The choice of MAPE and RMSE as accuracy metrics for comparing Thang et al.’s (2015) [36] model and the new model stems from their complementary strengths in evaluating predictive performance across the Kapitza-dominant datasets. MAPE is used here as a comparative indicator to summarize relative prediction error when contrasting Thang et al.’s [36] formulation with the proposed formulation for the three representative CNT–fluid cases considered in this study. Given the intentionally limited number of cases, MAPE is interpreted as a case-based summary metric, rather than as a statistically generalizable estimate across all CNT types and operating conditions. This metric highlights how close predictions are to experimental values in percentage terms, which is particularly useful in nanofluid research where enhancements are often small, and percentage improvements are critical for practical applications. Additionally, MAPE’s simplicity aids in communicating model performance to researchers designing heat transfer systems, where understanding relative accuracy is essential.

Table 1. Performance comparison of thermal conductivity models for kapitza-dominant nanofluid datasets.
Dataset Experimental kekm New model prediction Thang et al. [36] Prediction
CNTs in water 1.025 1.0880 1.2667
Ethylene Glycol 1.055 1.0609 1.1108
R113 1.100 1.4855 1.6765

CNTs, carbon nanotubes.

RMSE is used alongside MAPE because it measures the consistency of predictions by focusing on the magnitude of errors in their original units, penalizing larger deviations more heavily due to the squaring of differences (e.g., for the new model: squared differences are 0.003969, 0.00003481, 0.14861025). This makes RMSE particularly valuable for assessing the variability of prediction errors across datasets, providing insight into the models’ reliability in Kapitza-dominant systems where error magnitudes can vary significantly (e.g., small errors in ethylene glycol vs. larger errors in R113). The proposed formulation yields an RMSE of 0.225, lower than Thang et al.’s [36] 0.362 (from squared differences: 0.05841889, 0.00311364, 0.33235225), indicating lower aggregate deviation for the representative cases considered. The MAPE results show the new model at 13.92% versus Thang et al.’s [36] 27.09%, a 13.17% improvement, with notable error reductions in CNTs-in-water (6.15% vs. 23.58%) and ethylene glycol (0.56% vs. 5.29%), though the R113 error (35.05% vs. 52.41%) suggests challenges in non-polar fluids. A concise summary of these error metrics for the representative datasets is provided in Table 2 (Ref. [36]). These metrics collectively show lower error for the proposed formulation relative to Thang et al. [36] for the selected cases; the larger deviation for R113 is stated explicitly as a scope limitation, consistent with the stronger sensitivity of non-polar systems to CNT–fluid interfacial coupling (and thus to uncertainty in the effective Rk).

Table 2. Case-based RMSE and MAPE summary for Thang et al.’s [36] and the proposed thermal conductivity formulations (comparative indicators for the representative datasets).
Dataset Thang et al. [36] Error (%) New model error (%)
CNTs in water 23.58 6.15
Ethylene Glycol 5.29 0.56
R113 52.41 35.05
RMSE 0.362 0.225
MAPE 27.09 13.92
4. Discussion

From a parameter-trend standpoint, the proposed closed-form expression predicts a monotonic increase in ke/km with CNT volume fraction f, while the magnitude of enhancement is primarily controlled by the dimensionless interfacial group RkkCNT/rCNT: increasing Rk or decreasing rCNT increases the interfacial penalty 1+RkkCNT/rCNT and therefore suppresses the effective CNT contribution, whereas larger rCNT reduces the bottleneck and yields higher predicted enhancement. This dependence explains why sensitivity to Rk is intrinsically strongest for small-radius CNTs (e.g., SWCNTs) and for weakly coupled/non-polar base fluids, consistent with the comparatively larger deviation observed for the R113 case.

Limitations

Because the present model already captures the dominant mechanisms responsible for systematic overprediction, only incremental extensions are anticipated, primarily (i) further tightening uncertainty by using system-specific Rk values for strongly non-polar fluids and (ii) expanding validation across broader temperature ranges and additional base liquids, without altering the core closed-form structure.

Future work will focus on validating the proposed formulation against a broader set of experimental datasets spanning wider CNT concentrations and additional base fluids. Further refinement may also incorporate temperature-dependent properties and improved estimation of Kapitza resistance to enhance predictive accuracy for diverse nanofluid systems.

5. Conclusions

This study improves the predictive modeling of effective thermal conductivity in CNT-based nanofluids by explicitly incorporating two physical mechanisms that frequently dominate errors in dilute CNT suspensions: (i) truly isotropic three-dimensional (3D) CNT orientation and (ii) CNT–fluid interfacial (Kapitza) thermal resistance. The motivation is straightforward: CNTs are strongly anisotropic conductors, so their macroscopic contribution depends not only on their intrinsic axial conductivity, but also on how their axes are distributed relative to the applied temperature gradient and on how efficiently heat can cross the CNT–fluid interface. To address the first issue, this work replaces a 2D-like “random orientation” representation with a physically consistent 3D isotropic average over the unit sphere, yielding the projection factor α = 1/3. This factor reflects the probabilistic reality of a genuinely 3D random dispersion: on average, only one-third of the CNT axial conductivity contributes to heat flow along any specified macroscopic direction.

The second refinement is the explicit inclusion of Kapitza resistance Rk as a boundary-limited heat-transfer bottleneck at the CNT–fluid interface. The modified effective CNT term contains the interpretable penalty 1+(RkkCNT/rCNT), which quantifies how interfacial coupling limits the usable CNT contribution even when kCNT is very large, and correctly captures the stronger interfacial influence expected for smaller CNT radii. Together, these two updates preserve the closed-form convenience of the original framework while significantly improving physical realism for Kapitza-dominant CNT nanofluids.

Demonstration on three representative datasets spanning polar and non-polar base fluids, SWCNTs in water, MWCNTs in ethylene glycol, and MWCNTs in R113, shows lower error relative to Thang et al.’s [36] formulation for these cases; in aggregate, the proposed model reduces the mean absolute percentage error from 27.09% to 13.92% and decreases RMSE from 0.362 to 0.225 for the selected datasets. The remaining discrepancy for R113 is consistent with the expectation that non-polar systems are particularly sensitive to interfacial coupling, reinforcing the importance of Rk in governing performance and interpretation.

Abbreviations

MAPE, Mean Absolute Percentage Error; MWCNTs, Multi-Walled Carbon Nanotubes; RMSE, Root Mean Square Error; SWCNTs, Single-Walled Carbon Nanotubes.

Availability of Data and Materials

All data required to support the findings and conclusions of this study are included within the article. If any additional information, underlying materials, or further clarification of the procedures is needed, it can be provided by the corresponding author upon reasonable request.

Author Contributions

ADT: conceptualization; data curation; formal analysis; methodology; investigation; writing — original draft; funding acquisition. HTB: validation; resources; methodology; formal analysis; writing — original draft. NMP: conceptualization; data curation; project administration; supervision; writing — review & editing. All authors read and approved the final manuscript. All authors have participated sufficiently in the work and agreed to be accountable for all aspects of the work.

Ethics Approval and Consent to Participate

Not applicable.

Acknowledgment

The authors gratefully acknowledge the valuable advice and constructive input provided by colleagues at Vietnam National Space Center (VNSC), Institute of Materials Science (IMS), and Graduate University of Science and Technology (GUST) throughout the course of this research.

Funding

The authors acknowledge the financial support from Vietnam Academy of Science and Technology (VAST) under project code NCPTVL.02/25-27 for this study.

Conflict of Interest

The authors declare that they have no conflict of interest. Specifically, the authors report no financial or commercial relationships, personal affiliations, academic or professional commitments, or other circumstances that could be perceived as influencing the study design, data collection, analysis, interpretation of results, or the writing and submission of this manuscript.

Declaration of AI and AI-Assisted Technologies in the Writing Process

The authors declare that no AI tools or AI-assisted technologies were employed in the conceptualization, data analysis, interpretation, writing, or substantive editing of this manuscript. ChatGPT (OpenAI, free version) was used in a limited capacity solely to verify and refine the translation of selected technical terminologies to ensure terminological precision. All scientific content and intellectual contributions were produced exclusively by the authors.

References

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