Luis Hamel1This email address is being protected from spambots. You need JavaScript enabled to view it. and Sergio D. Rosales-Anzola2This email address is being protected from spambots. You need JavaScript enabled to view it.
1Niels Bohr Institute, University of Copenhagen, Blegdamsvej 17, Copenhagen, Denmark
2Departamento de Energía y Automatizacion, Universidad Metropolitana (UNIMET), Caracas, 1073, Venezuela
Received: April 28, 2024 Accepted: August 24, 2024 Publication Date: October 7, 2024
Copyright The Author(s). This is an open access article distributed under the terms of the Creative Commons Attribution License (CC BY 4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are cited.
The influence of different error functions (standard deviation, normalized standard deviation, and chi-square) as objective functions in the calculation of the relaxation time spectrum is studied, as well as the influence of different minimization procedures available in MATLAB (fmincon, fminimax, and patternsearch). Two simulated spectra were extracted from the literature to validate the proposed methodology, each with its corresponding dynamic modulus. These dynamic moduli were then used to calculate the spectrum, which was subsequently compared with the initial simulated spectra. This calculus implies a well-known ill-posed problem solved by simultaneously minimizing the regularized error function and a constraint function. The proposed regularization is based on Tikhonov regularization, with a second spectrum differential as the operator and an optimal regularization parameter generated using a modified L Curve. A new way of comparing the different procedures used is proposed, which involves the calculation of the mean between the resulting spectra and its subsequent use as an initial point in the different minimizations studied until convergence is achieved. Finally, the results show that the best objective function studied is the normalized standard deviation and that the best minimization procedure is fmincon.
Keywords: dynamic moduli; relaxation time spectra; ill-posed problem; MATLAB
[1] S. D. Rosales-Anzola, M. Garcia-Sucre, G. UrbinaVillalba, and E. Lopez, (2012) “Surface dilational viscoelasticity of surfactants" Topics in the Colloidal Aggregation and Interfacial Phenomena; GarciaSucre, M., Loszan, A., Castellanos-Suarez, AJ, ToroMendoza, J., Eds:
[2] R.-C. Chang, B.-C. Huang, et al., (2005) “Dynamic responses of a viscoelastic material in nanoscale by using harmonic nanoindentation" Journal of Applied Science and Engineering 8(3): 217–224.
[3] D. Rajamani, E. Balasubramanian, et al., (2019) “Investigation of sintering parameters on viscoelastic behaviour of selective heat sintered HDPE parts" Journal of Applied Science and Engineering 22(3): 391–402.
[4] M. Yu, X. Li, W. Liu, L. Tie, G. Xu, B. Wu, Z. Chen, Y. Zheng, et al., (2022) “Experimental Study On Rheological Properties Of Mixtures Of Silica Nanoparticles And Wormlike Micelles" Journal of Applied Science and Engineering 26(4): 511–516.
[5] V. Kontogiorgos, (2010) “Calculation of relaxation spectra from mechanical spectra in MATLAB" Polymer Testing 29(8): 1021–1025.
[6] C. W. Macosko, (1994) “Rheology principles" Measurements and Applications:
[7] J. Ferry. Viscoelastic properties of polymers. 264. Wiley, 1980.
[8] J. W. Goodwin and R. W. Hughes. Rheology for chemists: an introduction. Royal Society of Chemistry, 2008.
[9] K.-M. Chan and Y. Wang. “Relaxation Spectrum: Why It Matters and How to Correctly Develop One?” In: Proceedings of the RILEM International Symposium on Bituminous Materials: ISBM Lyon 2020 1. Springer. 2022, 1551–1561.
[10] T. Mezger. The Rheology Handbook: 4th Edition. EUROPEAN COATING. Vincentz Network, 2012.
[11] M. R. Rojas, A. Müller, and A. Sáez, (2008) “Synergistic effects in flows of mixtures of wormlike micelles and hydroxyethyl celluloses with or without hydrophobic modifications" Journal of colloid and interface science 322(1): 65–72.
[12] S. D. Rosales-Anzola and G. Urbina-Villalba, (2024) “Methodological Approach To Selecting State Equations And Adsorption Isotherms" Journal of Applied Science and Engineering 28(3): 451–458.
[13] M. J. Rosen and M. Dahanayake. Industrial utilization of surfactants: principles and practice. AOCS press Champaign, IL, 2000.
[14] B. F. Garcia and S. Saraji, (2018) “A new insight into the dependence of relaxation time on frequency in viscoelastic surfactant solutions: From experimental to modeling study" Journal of colloid and interface science 517: 265–277.
[15] N. Orbey and J. M. Dealy, (1991) “Determination of the relaxation spectrum from oscillatory shear data" Journal of Rheology 35(6): 1035–1049.
[16] H. H. Winter, (1997) “Analysis of dynamic mechanical data: inversion into a relaxation time spectrum and consistency check" Journal of Non-Newtonian Fluid Mechanics 68(2-3): 225–239.
[17] O. Vernaez and A. J. Muller, (2014) “Relaxation time spectra from short frequency range small-angle dynamic rheometry" Rheologica Acta 53: 385–399.
[18] A. Davies and R. Douglas, (2019) “A kernel approach to deconvolution of the complex modulus in linear viscoelasticity" Inverse Problems 36(1): 015001.
[19] P. C. Hansen, (2007) “Regularization tools version 4.0 for Matlab 7.3" Numerical algorithms 46: 189–194.
[20] S. W. Provencher, (1982) “CONTIN: a general purpose constrained regularization program for inverting noisy linear algebraic and integral equations" Computer Physics Communications 27(3): 229–242.
[21] J. Honerkamp and J. Weese, (1989) “Determination of the relaxation spectrum by a regularization method" Macromolecules 22(11): 4372–4377.
[22] T. Roths, D. Maier, C. Friedrich, M. Marth, and J. Honerkamp, (2000) “Determination of the relaxation time spectrum from dynamic moduli using an edge preserving regularization method" Rheologica acta 39(2): 163–173.
[23] S. Hansen, (2008) “Estimation of the relaxation spectrum from dynamic experiments using Bayesian analysis and a new regularization constraint" Rheologica Acta 47: 169–178.
[24] A. Y. Malkin, G. Vasilyev, and A. Andrianov, (2010) “On continuous relaxation spectrum. Method of calculation" Polymer Science Series A 52(11): 1137–1141.
[25] J. Honerkamp and J. Weese, (1993) “A nonlinear regularization method for the calculation of relaxation spectra" Rheologica acta 32: 65–73.
[26] F. J. Stadler and C. Bailly, (2009) “A new method for the calculation of continuous relaxation spectra from dynamicmechanical data" Rheologica Acta 48: 33–49.
[27] K. Soo Cho and G. Woo Park, (2013) “Fixed-point iteration for relaxation spectrum from dynamic mechanical data" Journal of Rheology 57(2): 647–678.
[28] A. Takeh and S. Shanbhag, (2013) “A computer program to extract the continuous and discrete relaxation spectra from dynamic viscoelastic measurements" Applied Rheology 23(2): 24628.
[29] S. Shanbhag, (2020) “Relaxation spectra using nonlinear Tikhonov regularization with a Bayesian criterion" Rheologica Acta 59: 509–520.
[30] K. S. Cho, (2010) “A simple method for determination of discrete relaxation time spectrum" Macromolecular Research 18: 363–371.
[31] E. A. Jensen, (2002) “Determination of discrete relaxation spectra using simulated annealing" Journal of non-newtonian fluid mechanics 107(1-3): 1–11.
[32] C. Elster and J. Honerkamp, (1991) “Modified maximum entropy method and its application to creep data" Macromolecules 24(1): 310–314.
[33] W. Zhang, B. Cui, X. Gu, and Q. Dong, (2018) “Comparison of relaxation modulus converted from frequencyand time-dependent viscoelastic functions through numerical methods" Applied Sciences 8(12): 2447.
[34] Q. Xu and B. Engquist, (2018) “A mathematical model for fitting and predicting relaxation modulus and simulating viscoelastic responses" Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 474(2213): 20170540.
[35] J. Huang and D. G. Baird, (2002) “Ratio of dynamic moduli and estimation of relaxation times" Journal of Rheology 46(4): 777–795.
[36] A. Davies and R. S. Anderssen, (1998) “Sampling localization and duality algorithms in practice" Journal of non-newtonian fluid mechanics 79(2-3): 235–253.
[37] P. K. Singh, J. M. Soulages, and R. H. Ewoldt, (2019) “On fitting data for parameter estimates: residual weighting and data representation" Rheologica Acta 58: 341–359.
[38] K. Y. Foo and B. H. Hameed, (2010) “Insights into the modeling of adsorption isotherm systems" Chemical engineering journal 156(1): 2–10.
[39] Y. K. Yeo. Chemical engineering computation with Matlab®. CRC Press, 2020.
[40] S. Dutta. Optimization in chemical engineering. Cambridge University Press, 2016.
[41] K. B. Sahay, N. Kumar, and M. Tripathi. “Implementation of different optimization techniques to solve ELD problem”. In: 2014 6th IEEE Power India International Conference (PIICON). IEEE. 2014, 1–6.
[42] A. Davies and R. S. Anderssen, (1997) “Sampling localization in determining the relaxation spectrum" Journal of Non-Newtonian Fluid Mechanics 73(1-2): 163–179.
[43] L. Budai, M. Budai, Z. E. Fülöpné Pápay, Z. Vilimi, and I. Antal, (2023) “Rheological considerations of pharmaceutical formulations: Focus on viscoelasticity" Gels 9(6): 469.
[44] T. F. Tadros. Applied surfactants: principles and applications. John Wiley & Sons, 2006. [45] H. Tan, K. Tam, and R. Jenkins, (2000) “Relaxation spectra and viscoelastic behavior of a model hydrophobically modified alkali-soluble emulsion (HASE) polymer in salt/SDS solutions" Journal of colloid and interface science 231(1): 52–58.
We use cookies on this website to personalize content to improve your user experience and analyze our traffic. By using this site you agree to its use of cookies.