1 Vietnam National Space Center, Vietnam Academy of Science and Technology, 100000 Nghia Do, Hanoi, Vietnam
2 Institute of Materials Science, Vietnam Academy of Science and Technology, 100000 Nghia Do, Hanoi, Vietnam
3 Department of Materials Science, Graduate University of Science and Technology, Vietnam Academy of Science and Technology, 100000 Nghia Do, Hanoi, Vietnam
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.
Keywords
- nanofluids
- thermal conductivity
- Kapitza resistance
- 3D orientation
- CNTs
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 =
Where:
- keff-CNT: effective thermal conductivity of the CNTs in the direction
of heat flow (W/m
- 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/m
- 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].
We acknowledge that the isotropic 3D orientation-averaging result (
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 (
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
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.
In CNT-based nanofluids, the high thermal conductivity of CNTs (kCNT,
typically 600–3000 W/m
Consider a single CNT with its axis oriented along a unit vector n, defined in
spherical coordinates by angles
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
The heat flux qCNT through the CNT depends on the component of the
temperature gradient along the CNT’s axis. The projection of
Where:
The heat flux along the CNT’s axis is proportional to the axial component of the temperature gradient:
We are interested in the x-component of the heat flux, as it contributes to the
effective thermal conductivity in the direction of
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:
The total solid angle of the sphere is:
The probability density function is thus
For the x-component of the heat flux, we need the average of
(sin
Evaluate the
Evaluate the
Use substitution: u = cos
Limits:
Combine:
This result is the average projection factor for the x-direction. Due to isotropy, the same factor applies for the y- or z-directions:
The average x-component of the heat flux is:
The effective thermal conductivity keff-CNT relates the average heat flux to the temperature gradient:
Equating:
Physical Interpretation: The
The form of Kapitza resistance in the new model appears in the expression for the effective CNT thermal conductivity given in Eqn. 20:
Rk is the Kapitza resistance (m2
Physical Interpretation: The form of Kapitza resistance in the denominator of
the effective CNT thermal conductivity, as
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
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:
Introducing the 3D-averaged and interface-limited effective CNT conductivity from Eqn. 20 into the Thang et al. [36] baseline expression (Eqn. 21) yields:
Simplify:
The appearance of the interfacial penalty
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
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
| Dataset | Experimental |
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).
| 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 |
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
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.
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
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
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.
MAPE, Mean Absolute Percentage Error; MWCNTs, Multi-Walled Carbon Nanotubes; RMSE, Root Mean Square Error; SWCNTs, Single-Walled Carbon Nanotubes.
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.
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.
Not applicable.
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.
The authors acknowledge the financial support from Vietnam Academy of Science and Technology (VAST) under project code NCPTVL.02/25-27 for this study.
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.
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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