http://copasi.org/

Pseudo first-order kinetic model as given by Lagergren is ln (qe-qt)=lnqe-k1*t. You can calculate only k1 from this equation because qe is known to you from batch adsorption studies. qe is equilibrium adsorption capacity (or adsorption capacity at equilibrium time), which is known to us through experiments. You plot a graph between ln (qe-qt) Vs time, you will get a slope of-k1 and intercept of ln qe, which should match with experimental value.

http://www.tandfonline.com/doi/full/10.1080/10889868.2010.514966?src=recsys

https://www.researchgate.net/publication/301733499_On_the_comparison_of_pseudo-first_order_and_pseudo-second_order_rate_laws_in_the_modeling_of_adsorption_kinetics

https://www.researchgate.net/post/Is_there_any_free_software_that_will_allow_me_to_model_chemical_reactions

https://www.researchgate.net/post/In_gompertz_model_equation_M_Pexp-expRme_P_l-t_1_what_exactly_P_value_do_we_have_to_enter

Respected Er Markandeya Tiwari

Can you provide any link or step by step guide for applying adsorption isotherms using Origin?

As I guess, you have a problem with the approximation of a single kinetic curve of the adsorption process. You want to use the exponential function y = a (1-exp (-bt)) (according to you pseudo first order model) or the hyperbolic function y = abt / (1 + bt) (according to you pseudo-second order model). To determine the parameter values (one (a=qe) or two) you can use the graphical method (illustration of kinetic data in a properly selected coordinate system - what you are trying to) or software. You can use CHEMCAD, MATHLAB, STATISICA etc. for calculations. You can also write a program in BASIC or FORTRAN. What you need is a method of minimizing the function, where as an objective function you can use, for example, an average relative error. Sometimes it's worth trying it yourself. Regards,

Polymath is a good choice. Easy to use and it was available with books on calculations in chemical engineering. Regards,

The simpliest software media with perfect fiting, very good analytical package and vast fasilities is Microsoft Excel.

It provides nonlinear regression for any user formula.

Turning again to the discussion, I think that looking for software aimed at only kinetic models does not make much sense, because here you just need to couple a few numerical procedures - and often one is enough. Therefore, in the case of such simple tasks as the approximation of individual kinetic curves, I encourage once more you to write your own numerical softwere. Regards,

Dear Paawan Kaur,

I recommend OriginLab software version 8.5 or higher.

Regards

OriginPro8.5 software, hopeful this helps, all the best with your research.

Much chemical process modelling and/or simulation work can be done with the widely-used Microsoft’s Excel.

Application example ― Simulations carried in Excel 5.0 with Visual Basic for Applications (VBA) macros ― The recursive least squares algorithm (RLS) allows for (real-time) dynamical application of least squares regression to time series. Years ago, while investigating adaptive control and energetic optimization of aerobic fermenters, I have applied the RLS algorithm with forgetting factor (RLS-FF) to estimate the parameters from the KLa correlation, used to predict the O2 gas-liquid mass-transfer, while giving increased weight to most recent data. Estimates were improved by imposing sinusoidal disturbance to air flow and agitation speed (manipulated variables). The power dissipated by agitation was accessed by a torque meter (pilot plant). The proposed (adaptive) control algorithm compared favourably with PID. Simulations assessed the effect of numerically generated white Gaussian noise (2-sigma truncated) and of first order delay. This investigation was reported at (MSc Thesis):

Thesis Controlo do Oxigénio Dissolvido em Fermentadores para Minimi...