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By Thijs Joseph Henk Vlugt

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It is therefore interesting to investigate the temperature dependence of the inflection in detail. 11, the simulated adsorption isotherms of hexane obtained at temperatures ranging from ¾ K to ¿ ¿K are compared with the experimental data of Sun et al. [131], Richard and Rees [128] and Yang and Rees [132]. At about ¿¼¼K the simulations are in good agreement with the data of Richard and Rees [128] but deviates slightly from the data of Sun et al. There is excellent agreement between the simulations at ¿¾¿K and ¿ ¿K and the experimental data of Sun et al.

Prove that the algorithm obeys detailed balance. 9 Appendix D: Growth of isobutane In this appendix, we demonstrate that for the growth of isobutane, all trial segments have to be inserted simultaneously. s. on b ½ this equation does not hold in general. 1 Introduction In the previous chapter, we have discussed several improvements of Configurational-Bias Monte Carlo (CBMC). CBMC uses the algorithm suggested by Rosenbluth and Rosenbluth [110] for generating a configuration of a chain molecule. In CBMC, a chain conformation is grown segment by segment.

149, 150], Richard et al. [151], Stach et al. [124], Sun et al. [131], and Zhu et al. [135]. The simulation results are in good agreement with the experimental data. The maximum loading of Zhu et al. is considerably lower than the maximum loading of the other isotherms, which are due to impurities in the sample [152]. 3: Henry coefficients, À, (in [mmol/g/Pa]) of linear alkanes as a function of the number of carbon atoms Æ in Silicalite. 5 with the experimental isotherms of Rakhmatkariev et al.

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