| Type: | Package |
| Title: | Adsorption Isotherm Model Fitting |
| Version: | 0.1.1 |
| Author: | Debopam Rakshit [aut, cre], Arkaprava Roy [aut], K. M. Manjaiah [aut], Siba Prasad Datta [aut], Ritwika Das [aut] |
| Maintainer: | Debopam Rakshit <rakshitdebopam@yahoo.com> |
| Description: | The Langmuir and Freundlich adsorption isotherms are pivotal in characterizing adsorption processes, essential across various scientific disciplines. Proper interpretation of adsorption isotherms involves robust fitting of data to the models, accurate estimation of parameters, and efficiency evaluation of the models, both in linear and non-linear forms. For researchers and practitioners in the fields of chemistry, environmental science, soil science, and engineering, a comprehensive package that satisfies all these requirements would be ideal for accurate and efficient analysis of adsorption data, precise model selection and validation for rigorous scientific inquiry and real-world applications. Details can be found in Langmuir (1918) <doi:10.1021/ja02242a004> and Giles (1973) <doi:10.1111/j.1478-4408.1973.tb03158.x>. |
| Encoding: | UTF-8 |
| License: | GPL-3 |
| Imports: | AICcmodavg, ggplot2, nls2, stats |
| NeedsCompilation: | no |
| RoxygenNote: | 7.3.2 |
| Packaged: | 2025-08-09 11:28:29 UTC; Debopam |
| Repository: | CRAN |
| Date/Publication: | 2025-08-19 10:00:02 UTC |
Freundlich Linear Model
Description
This model will fit the adsorption data to the linear form of the Freundlich equation and will give the estimates of the Freundlich parameters, namely "kf" and "1/n" while evaluating the performance efficiency of the linear model of Freundlich through several error functions.
Usage
FLM (ce, qe)
Arguments
ce |
Equilibrium concentration of the adsorbate in the solution |
qe |
Amount adsorbed |
Value
Freundlich Isotherm Linear Model: Model summary
correlation (ce, qe): Correlation between ce and qe
kf: Freundlich constant
1/n: Freundlich exponent related to adsorption intensity
AIC: Akaike information criterion
AICc: Corrected Akaike information criterion
BIC: Bayesian information criterion
RMSE: Root Mean Squared Error
MSE: Mean Squared Error
MAE: Mean Absolute Error
MAPE: Mean Absolute Percentage Error
Chi.square: Chi-square value
References
Giles, C. H. (1973). The history and use of the Freundlich adsorption isotherm. Journal of the Society of Dyers and Colourists, 89(8), 287-291.
Datta, S. P., Bhadoria, P. B. S., & Kar, S. (1998). Availability of extractable boron in some acid soils, West Bengal, India. Communications in soil science and plant analysis, 29(15-16), 2285-2306.
Roy, A., Manjaiah, K. M., Datta, S. P., Rakshit, D., Barman, M., Ray, P., Golui, D., Raza, M. B., Tigga, P., Mondal, S., Vishwanath, Meena, S., & Meena, P. (2025). Effect of Low-Molecular-Weight Organic Acids and Silicon on Arsenic Adsorption and Desorption in a Paddy Soil of Bengal Delta Plain: Insights from Thermodynamics and Equilibrium Modeling. Water, Air, & Soil Pollution, 236(6), 344.
Raza, M. B., Datta, S. P., Golui, D., Barman, M., Ray, P., Upadhyay, D., Mishra, R., Roy, A., & Dash, A. K. (2025). Enhancing soil arsenic immobilization with organic and inorganic amendments: Insights from sorption–desorption study. Environmental Monitoring and Assessment, 197(1), 76.
Examples
ce <- c(0.025, 0.04, 0.055, 0.099, 0.139, 0.402, 1.999, 11.336)
qe <- c(17.21, 35.42, 51.238, 72.659, 89.268, 182.21, 345.29, 634.231)
m.fit <- FLM (ce, qe)
Freundlich Nonlinear Model
Description
This model will fit the adsorption data to the nonlinear form of the Freundlich equation and will give the estimates of the Freundlich parameters, namely "kf" and "1/n" while evaluating the performance efficiency of the nonlinear model of Freundlich through several error functions.
Usage
FNLM (ce, qe)
Arguments
ce |
Equilibrium concentration of the adsorbate in the solution |
qe |
Amount adsorbed |
Value
Freundlich Isotherm Nonlinear Model: Model summary
correlation (ce, qe): Correlation between ce and qe
kf: Freundlich constant
1/n: Freundlich exponent related to adsorption intensity
AIC: Akaike information criterion
AICc: Corrected Akaike information criterion
BIC: Bayesian information criterion
RMSE: Root Mean Squared Error
MSE: Mean Squared Error
MAE: Mean Absolute Error
MAPE: Mean Absolute Percentage Error
MPSD: Marquardt’s Percent Standard Deviation
Chi.square: Chi-square value
References
Giles, C. H. (1973). The history and use of the Freundlich adsorption isotherm. Journal of the Society of Dyers and Colourists, 89(8), 287-291.
Datta, S. P., Bhadoria, P. B. S., & Kar, S. (1998). Availability of extractable boron in some acid soils, West Bengal, India. Communications in soil science and plant analysis, 29(15-16), 2285-2306.
Roy, A., Manjaiah, K. M., Datta, S. P., Rakshit, D., Barman, M., Ray, P., Golui, D., Raza, M. B., Tigga, P., Mondal, S., Vishwanath, Meena, S., & Meena, P. (2025). Effect of Low-Molecular-Weight Organic Acids and Silicon on Arsenic Adsorption and Desorption in a Paddy Soil of Bengal Delta Plain: Insights from Thermodynamics and Equilibrium Modeling. Water, Air, & Soil Pollution, 236(6), 344.
Raza, M. B., Datta, S. P., Golui, D., Barman, M., Ray, P., Upadhyay, D., Mishra, R., Roy, A., & Dash, A. K. (2025). Enhancing soil arsenic immobilization with organic and inorganic amendments: Insights from sorption–desorption study. Environmental Monitoring and Assessment, 197(1), 76.
Examples
ce <- c(0.025, 0.04, 0.055, 0.099, 0.139, 0.402, 1.999, 11.336)
qe <- c(17.21, 35.42, 51.238, 72.659, 89.268, 182.21, 345.29, 634.231)
m.fit <- FNLM (ce, qe)
Langmuir Linear Model
Description
This model will fit the adsorption data to the linear form of the Langmuir equation and will give the estimates of the Langmuir parameters, namely "b" and "k" while evaluating the performance efficiency of the linear model of Langmuir through several error functions.
Usage
LLM(ce, qe)
Arguments
ce |
Equilibrium concentration of the adsorbate in the solution |
qe |
Amount adsorbed |
Value
Langmuir Isotherm Linear Model: Model summary
correlation (ce, qe): Correlation between ce and qe
b: Adsorption maxima
k: Langmuir adsorption constant related to bonding energy
AIC: Akaike information criterion
AICc: Corrected Akaike information criterion
BIC: Bayesian information criterion
RMSE: Root Mean Squared Error
MSE: Mean Squared Error
MAE: Mean Absolute Error
MAPE: Mean Absolute Percentage Error
Chi.square: Chi-square value
References
Langmuir, I. (1918). The adsorption of gases on plane surfaces of glass, mica and platinum. Journal of the American Chemical society, 40(9), 1361-1403.
Datta, S. P., Bhadoria, P. B. S., & Kar, S. (1998). Availability of extractable boron in some acid soils, West Bengal, India. Communications in soil science and plant analysis, 29(15-16), 2285-2306.
Roy, A., Manjaiah, K. M., Datta, S. P., Rakshit, D., Barman, M., Ray, P., Golui, D., Raza, M. B., Tigga, P., Mondal, S., Vishwanath, Meena, S., & Meena, P. (2025). Effect of Low-Molecular-Weight Organic Acids and Silicon on Arsenic Adsorption and Desorption in a Paddy Soil of Bengal Delta Plain: Insights from Thermodynamics and Equilibrium Modeling. Water, Air, & Soil Pollution, 236(6), 344.
Raza, M. B., Datta, S. P., Golui, D., Barman, M., Ray, P., Upadhyay, D., Mishra, R., Roy, A., & Dash, A. K. (2025). Enhancing soil arsenic immobilization with organic and inorganic amendments: Insights from sorption–desorption study. Environmental Monitoring and Assessment, 197(1), 76.
Examples
ce <- c(0.025, 0.04, 0.055, 0.099, 0.139, 0.402, 1.999, 11.336)
qe <- c(17.21, 35.42, 51.238, 72.659, 89.268, 182.21, 345.29, 634.231)
m.fit <- LLM (ce, qe)
Langmuir Nonlinear Model
Description
This model will fit the adsorption data to the nonlinear form of the Langmuir equation and will give the estimates of the Langmuir parameters, namely "b" and "k" while evaluating the performance efficiency of the nonlinear model of Langmuir through several error functions.
Usage
LNLM (ce, qe)
Arguments
ce |
Equilibrium concentration of the adsorbate in the solution |
qe |
Amount adsorbed |
Value
Langmuir Isotherm Nonlinear Model: Model summary
correlation (ce, qe): Correlation between ce and qe
b: Adsorption maxima
k: Langmuir adsorption constant related to bonding energy
AIC: Akaike information criterion
AICc: Corrected Akaike information criterion
BIC: Bayesian information criterion
RMSE: Root Mean Squared Error
MSE: Mean Squared Error
MAE: Mean Absolute Error
MAPE: Mean Absolute Percentage Error
MPSD: Marquardt’s Percent Standard Deviation
Chi.square: Chi-square value
References
Langmuir, I. (1918). The adsorption of gases on plane surfaces of glass, mica and platinum. Journal of the American Chemical society, 40(9), 1361-1403.
Datta, S. P., Bhadoria, P. B. S., & Kar, S. (1998). Availability of extractable boron in some acid soils, West Bengal, India. Communications in soil science and plant analysis, 29(15-16), 2285-2306.
Roy, A., Manjaiah, K. M., Datta, S. P., Rakshit, D., Barman, M., Ray, P., Golui, D., Raza, M. B., Tigga, P., Mondal, S., Vishwanath, Meena, S., & Meena, P. (2025). Effect of Low-Molecular-Weight Organic Acids and Silicon on Arsenic Adsorption and Desorption in a Paddy Soil of Bengal Delta Plain: Insights from Thermodynamics and Equilibrium Modeling. Water, Air, & Soil Pollution, 236(6), 344.
Raza, M. B., Datta, S. P., Golui, D., Barman, M., Ray, P., Upadhyay, D., Mishra, R., Roy, A., & Dash, A. K. (2025). Enhancing soil arsenic immobilization with organic and inorganic amendments: Insights from sorption–desorption study. Environmental Monitoring and Assessment, 197(1), 76.
Examples
ce <- c(0.025, 0.04, 0.055, 0.099, 0.139, 0.402, 1.999, 11.336)
qe <- c(17.21, 35.42, 51.238, 72.659, 89.268, 182.21, 345.29, 634.231)
m.fit <- LNLM (ce, qe)