Title of the article: Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model

This folder contains the following excel file:
Dataset-Reaction_equilibrium_distribution_of_hydroisomerization_of_C7_and_C8_isomers


	Table of Contents	Scott, D. W. Chemical thermodynamic properties of hydrocarbons and related substances: properties of the alkane hydrocarbons, C1 through C10, in the ideal gas state from 0 to 1500 K ; US Department of the Interior, Bureau of Mines: Washington DC, 1974												
														
	Scott's tables		Thermodynamic properties of various C7 and C8 isomers at different temperatures										
1	C7	n-heptane		(G0-H0(0K))/T - Difference between standard Gibbs free energy at a certain temperature, T and standard enthalpy at 0 K per unit K										
2	2mC6	2 methyl hexane		(H0-H0(0K))/T - Difference between standard enthalpy at a certain temperature, T and standard enthalpy at 0 K per unit K										
3	3mC6	3 methyl hexane		(G0-H0(0K)) - Difference between standard Gibbs free energy at a certain temperature, T and standard enthalpy at 0 K										
4	3eC5	3 ethyl pentane		H0-H0(0K) - Difference between standard enthalpy at a certain temperature, T and standard enthalpy at 0 K										
5	22mC5	2,2 dimethyl pentane		S0 - Standard entropy at a certain temperature, T										
6	23mC5	2,3 dimethyl pentane		Cp0 - Heat capacity at constant pressure and a certain temperature, T										
7	24mC5	2,4 dimethyl pentane		DHf0 - Enthalpy of formation at a certain temperature, T										
8	33mC5	3,3 dimethyl pentane		DGf0 - Gibbs free energy of formation at a certain temperature, T										
9	223mC4	2,2,3 trimethyl butane		log 10 Kf - Logarithm with base 10 of the equilibrium constant										
10	C8	n-octane												
11	2mC7	2 methyl heptane												
12	3mC7	3 methyl heptane												
13	4mC7	4 methyl heptane												
14	3eC6	3 ethyl hexane												
15	22mC6	2,2 dimethyl hexane												
16	23mC6	2,3 dimethyl hexane												
17	24mC6	2,4 dimethyl hexane												
18	25mC6	2,5 dimethyl hexane												
19	33mC6	3,3 dimethyl hexane												
20	34mC6	3,4 dimethyl hexane												
21	3e2mC5	3 ethyl 2 methyl pentane												
22	3e3mC5	3 ethyl 3 methyl pentane											
23	223mC5	2,2,3 trimethyl pentane												
24	224mC5	2,2,4 trimethyl pentane												
25	233mC5	2,3,3 trimethyl pentane												
26	234mC5	2,3,4 trimethyl pentane												
27	2233mC4	2,2,3,3 tetramethyl propane												
	Gas phase distribution		Isolated molecule partition functions and equilibrium distribution for hydroisomerization of C7 and C8 isomers in the gas phase											
28	lnq_iC7													
29	lnq_iC8													
	Adsorbed phase distribution		Henry coefficients, adsorbed phase mole fractions, adsorbed phase selectivities for hydroisomerization of C7 and C8 isomers											
30	xi_iC7_400K													
31	xi_iC7_500K													
32	xi_C7_600K													
33	xi_C7_700K													
34	xi_C8_400K													
35	xi_C8_500K													
36	xi_C8_600K													
37	xi_C8_700K													
	Critical constants													
38	Critical_consts		Critical temperature, critical pressure, and acentric factors for C7 isomers											
	Effect of pressure													
39	Fugacity_iC7		Pure component fugacity coefficients for C7 isomers at temperatures (400 K to 700 K) and pressures (1 bar to 30 bar)											
40	lnQ_iC7_high_press		Gas phase distribution for hydroisomerization of C7 isomers as a function of pressure											


