Merged Document 3 PDF

UNIVERSIDADE FEDERAL DE SO JOO DEL REI
CAMPUS ALTO PARAOPEBA
ATIVIDADE FINAL
Adriano de Ulha Torres

Fernanda Ribeiro Lemos
Atividade final de clculo de reatores.
Ouro Branco - MG
Dezembro de 2015
INTRODUO
A decomposio trmica do DTBP (Di-tert-butyl peroxide) um fenmeno

qumico conhecido e bem estudo a nvel de qumica e de engenharia. Na fase gasosa,
um dos processos provveis de ocorrer descrito na equao qumica 1.
8 18 2
2 3 6 + 2 6 (E.Q 1)
= 85
{
= 1,66106 1
Como se percebe na equao, o DTBP se decompe termicamente para formar

acetona e etano em uma reao qumica a saber exotrmica que tem suas constantes
cinticas determinadas por Kamarooyama. No presente estudo, se far o
dimensionamento de um processo industrial que visa produzir etano e acetona a partir
do DTBP em um reator RPA (Reator perfeitamente agitado).
Por questo de simplicidade, atribui-se os subndices A (DTBP), B (acetona) e C
(etano).
NOTA IMPORTANTE
Segundo a literatura, a reao tratada em fase gasosa (CAFERRATA, 2001).

Por isso optou-se por entrar no reator com vapor superaquecido reduzindo-se a presso
para 5 atm e aumentando a temperatura de entrada para 180. Alm disso, note que a
constante pr-exponencial fora considerada de ordem 6 invs de -6. Essa deciso fora
tomada em acordo com a literatura a saber Caferrata et al. (2001), Raley et al. (1948)
e Benson et al (1962), respectivamente, = 2,6148 1015 1, = 3,1855 1016 1 e
= 3,9001 1015 1. Calculos foram feitos no Matlab e encontram-se em anexo. As
planilhas de simulao no Hysys tambm esto.
CONSTANTANTES QUMICAS
Para efeito de clculos, tem-se que obter constantes termodinmicas

necessrias aos clculos. So elas o calor de formao das espcies envolvidas e calor
especfico a presso constante. A tabela 1 apresenta esses valores.
TABELA 1 Constantes termodinmicas relevantes ao problema
ESPCIE
( )
( )
345,27
372,4164
216,95
124,0182
84,0944
90,1985
*Calculado a partir dos grficos fornecidos.

+As entalpias de formao foram obtidas pelo mesmo programa.
Esses valores foram obtidos a partir da ferramenta Aspen Properties V8. Os

grficos base esto dispostos nas figuras 1, figura 2 e figura 3.
FIGURA 1 Entalpia da acetona pura sobre presso

constante e igual a 5 atm e com temperatura variante
entre 25 e 683 e sobre a fase vapor.
FIGURA 2 Entalpia da DTBP pura sobre presso

FIGURA 2 Entalpia da etano pura sobre presso

Como se v nos grficos, de forma geral, a entalpia se mostra linear dentro do

intervalo analisado. Para se obter o valor de entalpia padro, se observou no
graficamente o valor fornecido quando a temperatura 25. Nota-se aqui uma pequena
impreciso, a rigor entalpia padro de um componente dada a 1 atm, no presente
estudo, esse valor aproximado para entalpia a 5 atm. Mais adiante se comparar esse
valor ao fornecido pelo Hysys e conluiar-se- se essa aproximao boa suficiente.
Quanto a obteno da capacidade calorfica as equaes 2 e 3 foram
observadas.
Como foi dito, pelos grficos, a entalpia quase linear com relao a
temperatura, deste modo, podemos aproximar pela relao.
[ (682) (25)]
682 25
Os valores obtidos esto dispostos na TABELA 1.
CAPACIDADE CALORFICA MDIA DA REAO
De posse dos () individuais pode-se, ento, calcular o para reao. Ele

dado abaixo.
= 2 +
= 34.1815
Determina-se o calor padro de reao a partir das entalpias de formao dos reagentes
e produtos
=
= [2(216,95) 83,0944] (341,15)
= 483,81
= 4,8381 105
COEFICIENTE DE VARIAO DE VOLUME
O processo se passa em fase gasosa e acontece nesse sistema uma variao

de volume. Desta forma, necessrio calcular a variao de volume para clculos
posteriores. Para tanto, calcula-se .

0
= ( + 1)

0
2 1
0
= ( + 1)
1 1
0
=2
VOLUME DO REATOR
O volume do reator uma varivel livre. Ou seja, pode-se atribuir volume ao

reator RPA de uma forma que melhor convenha. Para tanto, como estimativa inicial
resolveu-se por considerar, por hora, a reator com um processo ISOTRMICO sem
variao de volume. Desta forma, a equao que prev o volume para esse sistema .
= 2,6445 104 1 (180) e presso constante de 5 . De certa forma, o volume
do reator tem que acomodar bem baixas vazes e altas vazes para que se tenha um
equilbrio de converso e produo. Para tanto, estipula-se uma converso arbitrria de
15% isotrmica e sob vazo 0 = 1,5493 104 3.
0
(1 )
= 1,0339 3
TEMPO ESPACIAL DO SISTEMA
Determina-se o tempo espacial para esse sistema
= 667,31
= 0,1857
BALANO DE MASSA
1 +
1,1077 109
10223
1 + 2,2154 109
10223
T
BALAO DE ENERGIA
Determina-se o termo
= + +
= + (0) + (0)
=
= 372,4164 ( )
O balao de massa fica ento
( )
[ + ( )]
(372,4164)(453 )
[1,7617 105 34.1815(453 )]
ENCONTRO DAS CURVAS
FIGURA 3 Curvas de converso em funo da temperatura a partir do

balano de massa (.) e balao de energia (x).
A temperatura encontrada fora uma sada de 610,1 e converso de 100,0%.

No HYSYS sob a mesma condies, temperatura de sada 676,6 e converso de
100,0%.
MODIFICACAO NA ENTRADA
Para se avaliar os efeitos da entrada sobre o sistema, se aumentou a vazo de

entrada em 100 vezes. Logo, o balano de massa fica.
1,1077 107
10223
1 + 2,2155 107
10223
T

balano de massa (.) e balao de energia (x).
A temperatura prevista teoricamente 290,1 e converso de 23,76%. O

sistema correlato no HYSYS determinou 196,9 e converso de 14,24%.
REATOR DE CAMISA
Para um reator de camisa, o balano de massa se mantm e o balao de energia

se altera.
( ) + [( )/0 ]
[ + ( )]
REA TE TROCA
A rea de troca a rea externa ao reator correspondente ao dimetro 0,9574

e altura de 1,436 , deste modo
= + 0,5 2
= 7,5591 2
O fluxo molar dado
0 = 4,1667 102
O fluido resfriaste gua a 16.
( ) + [( )/0 ]
[ + ( )]
Por uma questo de ordem nos nmeros no balao do denominador e numerador da

equao de energia.
1 102
0
O U disponvel para esse problema
= 5,5121 102
(372,4164)(453 ) [1 102 ( 289)]

[1,7617 105 34.1815(453 )]

balano de massa e balao de energia sob fluxo contnuo de
arrefecimento com corrente de gua a 16. Simbolo o a curva
arrefecida.
Como se v na figura 2 a temperatura de sada 490,1.
SISTEMA NO HYSYS
Faz-se uma anlise dos efeitos da vazo de entrada na converso e temperatura

de sada. Os parmetros de simulao esto na tabela X.
FIGURA 6 Sistema no HYSYS
TABELA 2 Configurao do simulador
Pacote de fluidos
UNIQUAC ideal
Temperatura na estrada
180
Presso
5 atm
Volume do reator
1,0338 3
Fez-se um total de 4 pontos com vazes variando em 1,5X, 10X e 100X a vazo
de 2,5 mol/min. Os resultados para temperatura de sada e converso esto dispostos
na tabela X.
TABELA 3 Teste de vazo
Vazo ( 1 )
Temperatura ()
Converso(%)
0,15
614,85
100,00
0,225
614,22
100,00
1,5
602,32
100,00
15
196,91
14,24
Como se v, quanto maior a vazo menor a temperatura no geral. A mesma

lgica seguida para converso no entanto no um queda proporcional direta. de
se espera que quando as vazes esto muito elevadas no h tempo hbil para que a
reao tome lugar.
ANLISE DE CUSTO
Para a anlise de custo, se estipula que o mesmo sistema isotrmico. O

investimento ser pago quando o lucro for zero.
=
=
= ( )
O gasto energtico 0,9647 kW. O custo energtico, ento, ser.
= 0,9647 0,86
= 0,8297
A vazo mssica na sada 21,93 1
= 21,93 9,46
= 207,4578
A lucratividade desse sistema por hora ento

= 206,6281 $
CONCLUSO
Foi simulado um sistema de 2,5 mol/min de feed puro de DTBP a uma

temperatura de 180 e 5 atm. Enquanto operando adiabticamente a temperatura de
operao 610,1 (terico) e 676,6 (HYSYS) com converso de 100%(terico e
hysys). Com uma camisa de resfriamento, obteve-se uma reduo de temperatura de
490,1 sem alteraes de converso (terico e HYSYS). Quando estudado os efeitos
da vazo, pode-se ampliar a entrada at 114x a entrada original. Desta forma, produzir
mais objetivo, j que no se perde converso, melhor trabalhar a altas vazes. A linha
demonstrou-se lucrativa com taxa de lucro igual a = 206,6281 $ . Em anexo, tem-se

as planilhas do HYSYS.
BIBLIOGRAFIA
Caferrata, Lzaro F.R; Manzione, Carlos J. Kinetics and Mechanism of Gas-Phase

Thermolysis Using Headspace-Gas Chromatographic Analysis J. of Chro. Sci, 39
(2001)
ANEXO 1
Script de clculos no Matlab.
close all; clear all; clc
c=[372.4164 124.0182 90.1985];

h=1e3*[-341.815 -216.95 -84.0944];
eps=2;
est=[-1 2 1];
Ea=85e3;
A=1.66e6;
R=8.314462;
Tref=180;
Tref=Tref+273.15;
Xiso=0.15;
v0=5.57754883058990/3600;
Ti=273.15+180;
T=Tref:10:Tref+500;
% Variao da capacidade calorfica
cp=est(1)*c(1)+est(2)*c(2)+est(3)*c(3);
% Calor de reao padro
Hr=est(1)*h(1)+est(2)*h(2)+est(3)*h(3);
% Determina-se k
k=A*exp(-Ea/(R*Tref));
% Determina o Volume isotrmico
b=v0/k;
%V=b*Xiso/(1-Xiso);
V=1.033884343299815;
% Determina-se o tempo espacial
t=V/v0;
% Balano de massa
f1=eps*t*A*exp(-Ea./(R*T));
f2=1+eps*t*A*exp(-Ea./(R*T));
Xbm=f1./f2;
% Balao de energia
B=c(1);
Xbe=(B*(Ti-T))./(Hr+cp*(Ti-T));
Xbe2=(B*(Ti-T)-(1e2*(T-289)))./(Hr+cp*(Ti-T)); % Com resfriamento
% Grficos
plot(T-273,Xbe,'x',T-273,Xbm','.',T-273,Xbe2','o')
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
UFSJ - Reatores - TBc.hsc
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
Material Stream: feed
7
8
9
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
10
11
Overall
12
Vapour / Phase Fraction
13
Temperature:
14
Pressure:
15
Molar Flow
16
Mass Flow
17
Std Ideal Liq Vol Flow
18
Molar Enthalpy
19
Molar Entropy
20
Heat Flow
21
Liq Vol Flow @Std Cond
Vapour Phase
1.0000
1.0000
(C)
217.0 *
(kPa)
1013 *
1013
(kgmole/h)
0.1500 *
0.1500
217.0
(kg/h)
21.93
21.93
(m3/h)
2.747e-002
2.747e-002
-2.882e+005
(kJ/kgmole)
-2.882e+005
(kJ/kgmole-C)
473.8
473.8
(kJ/h)
-4.322e+004
-4.322e+004
(m3/h)
2.745e-002 *
22
2.745e-002
PROPERTIES
23
24
Overall
Vapour Phase
25
Molecular Weight
26
Molar Density
(kgmole/m3)
27
Mass Density
(kg/m3)
36.36
36.36
28
Act. Volume Flow
(m3/h)
0.6033
0.6033
29
Mass Enthalpy
(kJ/kg)
-1971
-1971
30
Mass Entropy
(kJ/kg-C)
3.240
3.240
31
Heat Capacity
(kJ/kgmole-C)
322.8
322.8
32
Mass Heat Capacity
(kJ/kg-C)
2.207
2.207
33
LHV Molar Basis (Std)
(kJ/kgmole)
4.940e+006
4.940e+006
34
HHV Molar Basis (Std)
(kJ/kgmole)
5.309e+006
5.309e+006
35
HHV Mass Basis (Std)
(kJ/kg)
3.631e+004
3.631e+004
36
CO2 Loading
---
---
37
CO2 App ML Con
(kgmole/m3)
---
---
38
CO2 App WT Con
(kgmol/kg)
---
---
39
LHV Mass Basis (Std)
(kJ/kg)
3.378e+004
3.378e+004
40
Phase Fraction [Vol. Basis]
1.000
1.000
41
Phase Fraction [Mass Basis]
1.000
1.000
42
Phase Fraction [Act. Vol. Basis]
1.000
1.000
43
Mass Exergy
(kJ/kg)
125.7
---
44
Partial Pressure of CO2
(kPa)
0.0000
---
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
0.6033
0.6033
47
Avg. Liq. Density
(kgmole/m3)
5.461
5.461
48
Specific Heat
(kJ/kgmole-C)
322.8
322.8
49
Std. Gas Flow
(STD_m3/h)
3.547
3.547
50
Std. Ideal Liq. Mass Density
(kg/m3)
798.6
798.6
51
Act. Liq. Flow
(m3/s)
---
---
52
Z Factor
1.000
1.000
53
Watson K
11.05
11.05
54
User Property
---
---
55
Partial Pressure of H2S
56
Cp/(Cp - R)
57
Cp/Cv
58
Heat of Vap.
59
Kinematic Viscosity
60
Liq. Mass Density (Std. Cond)
61
Liq. Vol. Flow (Std. Cond)
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
Phase Fraction [Molar Basis]
66
Surface Tension
67
Thermal Conductivity
68
Viscosity
69
Aspen Technology Inc.

Licensed to: LEGENDS
(kPa)
146.2
146.2
0.2486
0.2486
0.0000
---
1.026
1.026
1.026
1.026
(kJ/kgmole)
2.538e+004
---
(cSt)
0.3050
0.3050
(kg/m3)
799.2
799.2
(m3/h)
2.745e-002
2.745e-002
0.0000
0.0000
(m3/kgmole)
4.022
4.022
(kJ/kg)
173.5
---
1.0000
1.0000
(dyne/cm)
---
---
(W/m-K)
2.754e-002
2.754e-002
(cP)
1.109e-002
1.109e-002
Aspen HYSYS Version 8.4 (30.0.0.8433)
Page 1 of 8
* Specified by user.
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
Material Stream: feed (continued)
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
12
Cv (Semi-Ideal)
13
Mass Cv (Semi-Ideal)
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
Mass Cv (Ent. Method)
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
(kPa)
20
True VP at 37.8 C
(kPa)
6.453
6.453
21
Liq. Vol. Flow - Sum(Std. Cond) (m3/h)
2.745e-002
2.745e-002
22
Viscosity Index
-14.19
---
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
---
---
(kJ/kg-C)
---
---
---
---
6.453
6.453
23
COMPOSITION
24
25
Overall Phase
26
27
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
28
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
1.0000
LIQUID VOLUME
FRACTION
29
DitBPeroxide
0.1500 *
1.0000 *
21.9344 *
1.0000 *
0.0275 *
1.0000 *
30
Acetone
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
31
Ethane
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
32
Total
0.1500
1.0000
1.0000
0.0275
1.0000
33
Vapour Phase
34
35
21.9344
COMPONENTS
MOLAR FLOW
(kgmole/h)
36
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
37
DitBPeroxide
0.1500
1.0000
21.9344
1.0000
0.0275
1.0000
38
Acetone
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
39
Ethane
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
40
Total
0.1500
1.0000
21.9344
1.0000
0.0275
1.0000
41
Material Stream: vap
42
43
44
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
45
46
Overall
47
48
Temperature:
49
Pressure:
50
Molar Flow
51
Mass Flow
52
53
Molar Enthalpy
54
Molar Entropy
55
Heat Flow
56
Vapour Phase
Liquid Phase
1.0000
1.0000
0.0000
(C)
708.6
708.6
708.6
(kPa)
1013
1013
1013
(kgmole/h)
0.4497
0.4497
0.0000
0.0000
(kg/h)
21.93
21.93
(m3/h)
3.473e-002
3.473e-002
0.0000
(kJ/kgmole)
-9.611e+004
-9.611e+004
-2.772e+004
(kJ/kgmole-C)
300.1
300.1
353.2
(kJ/h)
-4.322e+004
-4.322e+004
0.0000
3.201e-002
0.0000
(m3/h)
3.201e-002 *
57
PROPERTIES
58
59
Overall
60
Molecular Weight
61
Molar Density
62
Mass Density
63
Act. Volume Flow
64
Mass Enthalpy
65
Mass Entropy
66
Heat Capacity
67
Mass Heat Capacity
68
69
Fluid Package:
Liquid Phase
48.78
31.36
(kgmole/m3)
0.1241
0.1241
55.56
(kg/m3)
6.055
6.055
1742
(m3/h)
3.623
3.623
0.0000
(kJ/kg)
-1971
-1971
-884.0
(kJ/kg-C)
6.153
6.153
11.26
(kJ/kgmole-C)
147.7
147.7
124.3
(kJ/kg-C)
3.028
3.028
3.965
(kJ/kgmole)
1.583e+006
1.583e+006
1.439e+006

Vapour Phase
48.78
Page 2 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
Material Stream: vap (continued)
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
(kJ/kgmole)
1.706e+006
1.706e+006
1.562e+006
13
(kJ/kg)
3.499e+004
3.499e+004
4.982e+004
14
CO2 Loading
---
---
---
15
CO2 App ML Con
(kgmole/m3)
---
---
---
16
CO2 App WT Con
(kgmol/kg)
---
---
---
17
(kJ/kg)
3.246e+004
3.246e+004
4.590e+004
18
1.000
1.000
---
19
1.000
1.000
0.0000
20
21
Mass Exergy
22
23
Cost Based on Flow
24
25
26
Specific Heat
27
Std. Gas Flow
28
29
Act. Liq. Flow
30
Z Factor
31
Watson K
32
User Property
33
34
Cp/(Cp - R)
35
Cp/Cv
36
Heat of Vap.
37
Kinematic Viscosity
38
39
40
Liquid Fraction
41
Molar Volume
42
Mass Heat of Vap.
43
44
Surface Tension
45
46
Viscosity
47
Cv (Semi-Ideal)
48
49
Cv
50
Mass Cv
51
Cv (Ent. Method)
52
53
Cp/Cv (Ent. Method)
54
Reid VP at 37.8 C
(kPa)
55
True VP at 37.8 C
(kPa)
2783
2783
7859
56
3.201e-002
3.201e-002
0.0000
57
Viscosity Index
---
---
---
1.000
1.000
0.0000
(kJ/kg)
921.6
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
3.623
3.623
---
Avg. Liq. Density
(kgmole/m3)
12.95
12.95
11.90
(kJ/kgmole-C)
147.7
147.7
124.3
(STD_m3/h)
10.63
10.63
0.0000
(kg/m3)
631.6
631.6
373.1
(m3/s)
---
---
---
---
1.000
2.234e-003
12.51
12.51
18.71
---
---
---
0.0000
---
---
1.060
1.060
1.072
1.072
(kPa)
1.060
1.060
(kJ/kgmole)
3.725e+004
---
---
(cSt)
4.284
4.284
8.915e-002
(kg/m3)
685.3
685.3
395.5
(m3/h)
3.201e-002
3.201e-002
0.0000
0.0000
0.0000
1.000
8.056
8.056
1.800e-002
(m3/kgmole)
(kJ/kg)
763.6
---
---
1.0000
1.0000
0.0000
(dyne/cm)
---
---
0.0000
(W/m-K)
9.050e-002
9.050e-002
6.012e-002
(cP)
2.594e-002
2.594e-002
0.1553
(kJ/kgmole-C)
139.4
139.4
116.0
(kJ/kg-C)
2.857
2.857
3.700
(kJ/kgmole-C)
139.4
139.4
116.0
(kJ/kg-C)
2.857
2.857
3.700
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
1737
1737
7544
58
COMPOSITION
59
60
Overall Phase
61
62
Fluid Package:
COMPONENTS
63
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
1.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
64
DitBPeroxide
0.0001
0.0003
0.0214
0.0010
0.0000
0.0008
65
Acetone
0.2997
0.6664
17.4070
0.7936
0.0220
0.6344
66
Ethane
0.1499
0.3332
4.5061
0.2054
0.0127
0.3648
67
Total
0.4497
1.0000
21.9345
1.0000
0.0347
1.0000
68
69

Page 3 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
Vapour Phase
12
13
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
14
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
15
DitBPeroxide
0.0001
0.0003
0.0214
0.0010
0.0000
0.0008
16
Acetone
0.2997
0.6664
17.4070
0.7936
0.0220
0.6344
17
Ethane
0.1499
0.3332
4.5061
0.2054
0.0127
0.3648
18
Total
0.4497
1.0000
21.9345
1.0000
0.0347
1.0000
19
Liquid Phase
20
21
COMPONENTS
MOLAR FLOW
(kgmole/h)
22
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
23
DitBPeroxide
0.0000
0.0001
0.0000
0.0004
0.0000
0.0002
24
Acetone
0.0000
0.0457
0.0000
0.0846
0.0000
0.0400
25
Ethane
0.0000
0.9542
0.0000
0.9150
0.0000
0.9598
26
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
27
Material Stream: liq
28
29
30
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
31
32
Overall
33
34
Temperature:
35
Pressure:
36
Molar Flow
37
Mass Flow
38
39
Molar Enthalpy
40
Molar Entropy
41
Heat Flow
42
Vapour Phase
Liquid Phase
0.0000
0.0000
1.0000
(C)
708.6
708.6
708.6
(kPa)
1013
1013
1013
(kgmole/h)
0.0000
0.0000
0.0000
0.0000
(kg/h)
0.0000
0.0000
(m3/h)
0.0000
0.0000
0.0000
(kJ/kgmole)
-2.772e+004
-9.611e+004
-2.772e+004
(kJ/kgmole-C)
353.2
300.1
353.2
(kJ/h)
-0.0000
0.0000
0.0000
0.0000
0.0000
(m3/h)
0.0000 *
43
PROPERTIES
44
45
Overall
46
Molecular Weight
47
Molar Density
48
Mass Density
49
Act. Volume Flow
50
Mass Enthalpy
51
Mass Entropy
52
Heat Capacity
53
Mass Heat Capacity
54
Vapour Phase
Liquid Phase
31.36
48.78
31.36
(kgmole/m3)
55.56
0.1241
55.56
(kg/m3)
1742
6.055
1742
(m3/h)
0.0000
0.0000
0.0000
(kJ/kg)
-884.0
-1971
-884.0
(kJ/kg-C)
11.26
6.153
11.26
(kJ/kgmole-C)
124.3
147.7
124.3
(kJ/kg-C)
3.965
3.028
3.965
(kJ/kgmole)
1.439e+006
1.583e+006
1.439e+006
55
(kJ/kgmole)
1.562e+006
1.706e+006
1.562e+006
56
(kJ/kg)
4.982e+004
3.499e+004
4.982e+004
57
CO2 Loading
---
---
---
58
CO2 App ML Con
(kgmole/m3)
---
---
---
59
CO2 App WT Con
(kgmol/kg)
---
---
---
60
(kJ/kg)
4.590e+004
3.246e+004
4.590e+004
61
62
63
64
Mass Exergy
65
66
Cost Based on Flow
67
68
69
---
---
1.000
0.0000
0.0000
1.000
---
---
---
(kJ/kg)
862.5
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
---
---
---
Avg. Liq. Density
(kgmole/m3)
---
---
---
Page 4 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
Material Stream: liq (continued)
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
Specific Heat
13
Std. Gas Flow
14
15
Act. Liq. Flow
16
Z Factor
17
Watson K
18
User Property
19
20
Cp/(Cp - R)
21
Cp/Cv
22
Heat of Vap.
23
Kinematic Viscosity
24
25
26
Liquid Fraction
27
Molar Volume
28
Mass Heat of Vap.
29
30
Surface Tension
31
32
Viscosity
33
Cv (Semi-Ideal)
34
35
Cv
36
Mass Cv
37
Cv (Ent. Method)
38
39
Cp/Cv (Ent. Method)
40
Reid VP at 37.8 C
(kPa)
41
True VP at 37.8 C
(kPa)
7859
2783
7859
42
0.0000
0.0000
0.0000
43
Viscosity Index
---
---
---
(kJ/kgmole-C)
124.3
147.7
124.3
(STD_m3/h)
0.0000
0.0000
0.0000
(kg/m3)
373.1
631.6
373.1
(m3/s)
0.0000
---
0.0000
(kPa)
---
1.000
2.234e-003
18.71
12.51
18.71
---
---
---
0.0000
---
---
1.072
1.060
1.072
1.072
1.072
1.060
(kJ/kgmole)
1.999e+004
---
---
(cSt)
8.915e-002
4.284
8.915e-002
(kg/m3)
395.5
685.3
395.5
(m3/h)
0.0000
0.0000
0.0000
1.000
0.0000
1.000
(m3/kgmole)
1.800e-002
8.056
1.800e-002
(kJ/kg)
637.3
---
---
0.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
6.012e-002
9.050e-002
6.012e-002
(cP)
0.1553
2.594e-002
0.1553
(kJ/kgmole-C)
116.0
139.4
116.0
(kJ/kg-C)
3.700
2.857
3.700
(kJ/kgmole-C)
116.0
139.4
116.0
(kJ/kg-C)
3.700
2.857
3.700
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
7544
1737
7544
44
COMPOSITION
45
46
Overall Phase
47
48
Fluid Package:
COMPONENTS
49
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
50
DitBPeroxide
0.0000
0.0001
0.0000
0.0004
0.0000
0.0002
51
Acetone
0.0000
0.0457
0.0000
0.0846
0.0000
0.0400
52
Ethane
0.0000
0.9542
0.0000
0.9150
0.0000
0.9598
53
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
54
Vapour Phase
55
56
COMPONENTS
57
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
58
DitBPeroxide
0.0000
0.0003
0.0000
0.0010
0.0000
0.0008
59
Acetone
0.0000
0.6664
0.0000
0.7936
0.0000
0.6344
60
Ethane
0.0000
0.3332
0.0000
0.2054
0.0000
0.3648
61
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
62
Liquid Phase
63
64
COMPONENTS
65
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
66
DitBPeroxide
0.0000
0.0001
0.0000
0.0004
0.0000
0.0002
67
Acetone
0.0000
0.0457
0.0000
0.0846
0.0000
0.0400
68
Ethane
0.0000
0.9542
0.0000
0.9150
0.0000
69

0.9598
Page 5 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
Liquid Phase (continued)
12
13
Fluid Package:
Total
0.0000
1.0000
Phase Fraction
0.0000
1.0000
1.000
0.0000
1.0000
14
15
Cont. Stirred Tank Reactor: CSTR-100
16
17
CONNECTIONS
18
19
Inlet Stream Connections
20
Stream Name
21
22
From Unit Operation
feed
23
Outlet Stream Connections
24
Stream Name
25
26
27
To Unit Operation
vap
liq
28
PARAMETERS
29
30
Physical Parameters
Optional Heat Transfer
31
Delta P
Vessel Volume
32
0.0000 kPa
1.034 m3
33
Duty
*
Energy Stream
0.0000 kJ/h
User Variables
34
35
REACTION DETAILS
36
Reaction:
37
38
Component
Rxn-1
Mole Weight
Stoichiometric Coeff.
39
DitBPeroxide
146.2
-1 *
40
Acetone
58.08
2*
41
Ethane
30.07
1*
42
43
REACTION RESULTS FOR :
44
45
Set-1
Extents
46
47
Act. % Conv.
48
Rxn-1
Base Comp.
100.0
49
Rxn Extent
DitBPeroxide
2.081e-003
Balance
50
51
Total Inflow
Total Rxn
Total Outflow
52
53
DitBPeroxide
4.167e-005
-4.163e-005
4.064e-008
54
Acetone
0.0000
8.325e-005
8.325e-005
55
Ethane
0.0000
4.163e-005
4.163e-005
56
RATING
57
58
Sizing
59
60
61
Cylinder
Volume
Vertical
1.034 m3 *
Diameter
62
No
Height
1.436
Nozzles
63
64
Reactor has a Boot:

0.9574 m
0.0000 m *
Base Elevation Relative to Ground Level
65
Diameter
0.9574 m
Height
1.436
feed
vap
liq
66
Diameter
(m)
7.181e-002
7.181e-002
7.181e-002
67
Elevation (Base)
(m)
0.7181
1.436
0.0000
68
Elevation (Ground)
(m)
0.7181
1.436
0.0000
69

Page 6 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
6
7
Cont. Stirred Tank Reactor: CSTR-100 (continued)
8
9
Elevation (% of Height)
(%)
50.00
10
100.00
0.00
CONDITIONS
11
12
Name
13
Vapour
14
Temperature
15
Pressure
16
Molar Flow
(kgmole/h)
17
Mass Flow
(kg/h)
18
19
Molar Enthalpy
20
Molar Entropy
21
Heat Flow
feed
liq
vap
1.0000
0.0000
1.0000
(C)
217.0000 *
708.5985
708.5985
(kPa)
1013.2500 *
1013.2500
1013.2500
0.1500 *
0.0000
0.4497
0.0000
21.9345
21.9344
(m3/h)
0.0275
0.0000
0.0347
(kJ/kgmole)
-2.882e+005
-2.772e+004
-9.611e+004
(kJ/kgmole-C)
473.8
353.2
300.1
(kJ/h)
-4.3223e+04
-0.0000e-01
-4.3223e+04
22
PROPERTIES
23
24
Name
25
Molecular Weight
26
Molar Density
(kgmole/m3)
27
Mass Density
(kg/m3)
28
Act. Volume Flow
(m3/h)
29
Mass Enthalpy
(kJ/kg)
30
Mass Entropy
31
Heat Capacity
32
Mass Heat Capacity
33
feed
liq
vap
146.2
31.36
48.78
0.2486
55.56
0.1241
36.36
1742
6.055
0.6033
0.0000
3.623
-1971
-884.0
-1971
(kJ/kg-C)
3.240
11.26
6.153
(kJ/kgmole-C)
322.8
124.3
147.7
(kJ/kg-C)
2.207
3.965
3.028
(kJ/kgmole)
4.940e+006
1.439e+006
1.583e+006
34
(kJ/kgmole)
5.309e+006
1.562e+006
1.706e+006
35
(kJ/kg)
3.631e+004
4.982e+004
3.499e+004
36
CO2 Loading
---
---
---
37
CO2 Apparent Mole Conc. (kgmole/m3)
---
---
---
38
CO2 Apparent Wt. Conc.
(kgmol/kg)
---
---
---
39
(kJ/kg)
3.378e+004
4.590e+004
3.246e+004
40
1.000
---
1.000
41
1.000
0.0000
1.000
42
1.000
---
1.000
43
Mass Exergy
(kJ/kg)
125.7
862.5
921.6
44
(kPa)
0.0000
0.0000
0.0000
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
0.6033
---
3.623
47
Avg. Liq. Density
(kgmole/m3)
5.461
---
12.95
48
Specific Heat
(kJ/kgmole-C)
322.8
124.3
147.7
49
Std. Gas Flow
(STD_m3/h)
3.547
0.0000
10.63
50
(kg/m3)
798.6
373.1
631.6
51
Act. Liq. Flow
(m3/s)
---
0.0000
---
52
Z Factor
1.000
---
---
53
Watson K
11.05
18.71
12.51
54
User Property
55
56
57
58
Heat of Vap.
59
Kinematic Viscosity
60
61
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
66
Surface Tension
67
68
Viscosity
69
---
---
---
0.0000
0.0000
0.0000
Cp/(Cp - R)
1.026
1.072
1.060
Cp/Cv
1.026
1.072
1.060
(kJ/kgmole)
2.538e+004
1.999e+004
3.725e+004
4.284
(kPa)
(cSt)
0.3050
8.915e-002
(kg/m3)
799.2
395.5
685.3
(m3/h)
2.745e-002
0.0000
3.201e-002
0.0000
1.000
0.0000
(m3/kgmole)
4.022
1.800e-002
8.056
(kJ/kg)
173.5
637.3
763.6
1.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
2.754e-002
6.012e-002
9.050e-002
(cP)
1.109e-002
0.1553
2.594e-002
Page 7 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:26:25 2015
7
8
9
PROPERTIES
10
11
Name
12
Cv (Semi-Ideal)
13
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
(kPa)
20
True VP at 37.8 C
(kPa)
6.453
7859
2783
21
2.745e-002
0.0000
3.201e-002
22
Viscosity Index
-14.19
---
---
feed
liq
314.5
116.0
139.4
(kJ/kg-C)
2.151
3.700
2.857
(kJ/kgmole-C)
314.5
116.0
139.4
(kJ/kg-C)
2.151
3.700
2.857
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
6.453
7544
1737
23
DYNAMICS
24
25
Vessel Parameters: Initialize From Products
26
27
Vessel Volume
28
Vessel Diameter
29
30
1.034 *
(m3)
(m)
0.9574
Vessel Height
(m)
1.436
Liquid Level Percent
(%)
1.00 *
31
Level Calculator
Vertical cylinder
Fraction Calculator
Use levels and nozzles
Feed Delta P
(kPa)
0.0000
Vessel Pressure
(kPa)
1013
Holdup: Vessel Levels
32
33
vap
(kJ/kgmole-C)
Phase
Level
(m)
Percent
(%)
Volume
(m3)
35
Vapour
---
---
0.0000
36
Liquid
---
---
0.0000
37
Aqueous
---
---
0.0000
Volume
(m3)
34
38
Holdup: Details
39
40
Phase
Accumulation
(kgmole/h)
Moles
(kgmole)
42
Vapour
0.0000
0.0000
0.0000
43
Liquid
0.0000
0.0000
0.0000
44
Aqueous
0.0000
0.0000
45
Total
0.0000
0.0000
41
46
0.0000
0.0000
NOTES
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69

Page 8 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
7
8
9
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
10
11
Overall
12
13
Temperature:
14
Pressure:
15
Molar Flow
16
Mass Flow
17
18
Molar Enthalpy
19
Molar Entropy
20
Heat Flow
21
Vapour Phase
1.0000
1.0000
(C)
217.0 *
(kPa)
1013 *
1013
(kgmole/h)
0.2550 *
0.2550
217.0
(kg/h)
37.29
37.29
(m3/h)
4.669e-002
4.669e-002
-2.882e+005
(kJ/kgmole)
-2.882e+005
(kJ/kgmole-C)
473.8
473.8
(kJ/h)
-7.348e+004
-7.348e+004
(m3/h)
4.666e-002 *
22
4.666e-002
PROPERTIES
23
24
Overall
25
Molecular Weight
26
Molar Density
27
Mass Density
28
Act. Volume Flow
29
Mass Enthalpy
30
31
32
Mass Heat Capacity
33
Vapour Phase
146.2
146.2
(kgmole/m3)
0.2486
0.2486
(kg/m3)
36.36
36.36
(m3/h)
1.026
1.026
(kJ/kg)
-1971
-1971
Mass Entropy
(kJ/kg-C)
3.240
3.240
Heat Capacity
(kJ/kgmole-C)
322.8
322.8
(kJ/kg-C)
2.207
2.207
(kJ/kgmole)
4.940e+006
4.940e+006
34
(kJ/kgmole)
5.309e+006
5.309e+006
35
(kJ/kg)
3.631e+004
3.631e+004
36
CO2 Loading
---
---
37
CO2 App ML Con
(kgmole/m3)
---
---
38
CO2 App WT Con
(kgmol/kg)
---
---
39
(kJ/kg)
3.378e+004
3.378e+004
40
1.000
1.000
41
1.000
1.000
42
1.000
1.000
43
Mass Exergy
(kJ/kg)
125.7
---
44
(kPa)
0.0000
---
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
1.026
1.026
47
Avg. Liq. Density
(kgmole/m3)
5.461
5.461
48
Specific Heat
(kJ/kgmole-C)
322.8
322.8
49
Std. Gas Flow
(STD_m3/h)
6.029
6.029
50
(kg/m3)
798.6
798.6
51
Act. Liq. Flow
(m3/s)
---
---
52
Z Factor
1.000
1.000
53
Watson K
11.05
11.05
54
User Property
---
---
55
56
Cp/(Cp - R)
57
Cp/Cv
58
Heat of Vap.
59
Kinematic Viscosity
60
61
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
66
Surface Tension
67
68
Viscosity
69

(kPa)
0.0000
---
1.026
1.026
1.026
1.026
(kJ/kgmole)
2.538e+004
---
(cSt)
0.3050
0.3050
(kg/m3)
799.2
799.2
(m3/h)
4.666e-002
4.666e-002
0.0000
0.0000
(m3/kgmole)
4.022
4.022
(kJ/kg)
173.5
---
1.0000
1.0000
(dyne/cm)
---
---
(W/m-K)
2.754e-002
2.754e-002
(cP)
1.109e-002
1.109e-002
Page 1 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
12
Cv (Semi-Ideal)
13
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
(kPa)
20
True VP at 37.8 C
(kPa)
6.453
6.453
21
4.666e-002
4.666e-002
22
Viscosity Index
-14.19
---
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
---
---
(kJ/kg-C)
---
---
---
---
6.453
6.453
23
COMPOSITION
24
25
Overall Phase
26
27
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
28
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
1.0000
LIQUID VOLUME
FRACTION
29
DitBPeroxide
0.2550 *
1.0000 *
37.2884 *
1.0000 *
0.0467 *
1.0000 *
30
Acetone
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
31
Ethane
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
32
Total
0.2550
1.0000
1.0000
0.0467
1.0000
33
Vapour Phase
34
35
37.2884
COMPONENTS
MOLAR FLOW
(kgmole/h)
36
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
37
DitBPeroxide
0.2550
1.0000
37.2884
1.0000
0.0467
1.0000
38
Acetone
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
39
Ethane
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
40
Total
0.2550
1.0000
37.2884
1.0000
0.0467
1.0000
41
42
43
44
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
45
46
Overall
47
48
Temperature:
49
Pressure:
50
Molar Flow
51
Mass Flow
52
53
Molar Enthalpy
54
Molar Entropy
55
Heat Flow
56
Vapour Phase
Liquid Phase
1.0000
1.0000
0.0000
(C)
708.3
708.3
708.3
(kPa)
1013
1013
1013
(kgmole/h)
0.7642
0.7642
0.0000
0.0000
(kg/h)
37.29
37.29
(m3/h)
5.903e-002
5.903e-002
0.0000
(kJ/kgmole)
-9.616e+004
-9.616e+004
-2.781e+004
(kJ/kgmole-C)
300.2
300.2
353.2
(kJ/h)
-7.348e+004
-7.348e+004
0.0000
5.440e-002
0.0000
(m3/h)
5.440e-002 *
57
PROPERTIES
58
59
Overall
60
Molecular Weight
61
Molar Density
62
Mass Density
63
Act. Volume Flow
64
Mass Enthalpy
65
Mass Entropy
66
Heat Capacity
67
Mass Heat Capacity
68
69
Fluid Package:
Liquid Phase
48.80
31.38
(kgmole/m3)
0.1242
0.1242
55.56
(kg/m3)
6.059
6.059
1743
(m3/h)
6.154
6.154
0.0000
(kJ/kg)
-1971
-1971
-886.3
(kJ/kg-C)
6.151
6.151
11.26
(kJ/kgmole-C)
147.7
147.7
124.4
(kJ/kg-C)
3.028
3.028
3.964
(kJ/kgmole)
1.584e+006
1.584e+006
1.440e+006

Vapour Phase
48.80
Page 2 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
(kJ/kgmole)
1.707e+006
1.707e+006
1.563e+006
13
(kJ/kg)
3.499e+004
3.499e+004
4.980e+004
14
CO2 Loading
---
---
---
15
CO2 App ML Con
(kgmole/m3)
---
---
---
16
CO2 App WT Con
(kgmol/kg)
---
---
---
17
(kJ/kg)
3.246e+004
3.246e+004
4.588e+004
18
1.000
1.000
---
19
1.000
1.000
0.0000
20
21
Mass Exergy
22
23
Cost Based on Flow
24
25
26
Specific Heat
27
Std. Gas Flow
28
29
Act. Liq. Flow
30
Z Factor
31
Watson K
32
User Property
33
34
Cp/(Cp - R)
35
Cp/Cv
36
Heat of Vap.
37
Kinematic Viscosity
38
39
40
Liquid Fraction
41
Molar Volume
42
Mass Heat of Vap.
43
44
Surface Tension
45
46
Viscosity
47
Cv (Semi-Ideal)
48
49
Cv
50
Mass Cv
51
Cv (Ent. Method)
52
53
Cp/Cv (Ent. Method)
54
Reid VP at 37.8 C
(kPa)
55
True VP at 37.8 C
(kPa)
2781
2781
7843
56
5.440e-002
5.440e-002
0.0000
57
Viscosity Index
---
---
---
1.000
1.000
0.0000
(kJ/kg)
920.9
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
6.154
6.154
---
Avg. Liq. Density
(kgmole/m3)
12.94
12.94
11.90
(kJ/kgmole-C)
147.7
147.7
124.4
(STD_m3/h)
18.07
18.07
0.0000
(kg/m3)
631.7
631.7
373.3
(m3/s)
---
---
---
---
1.000
2.235e-003
12.51
12.51
18.70
---
---
---
0.0000
---
---
1.060
1.060
1.072
1.072
(kPa)
1.060
1.060
(kJ/kgmole)
3.726e+004
---
---
(cSt)
4.280
4.280
8.912e-002
(kg/m3)
685.4
685.4
395.8
(m3/h)
5.440e-002
5.440e-002
0.0000
0.0000
0.0000
1.000
8.053
8.053
1.800e-002
(m3/kgmole)
(kJ/kg)
763.6
---
---
1.0000
1.0000
0.0000
(dyne/cm)
---
---
0.0000
(W/m-K)
9.046e-002
9.046e-002
6.011e-002
(cP)
2.594e-002
2.594e-002
0.1554
(kJ/kgmole-C)
139.4
139.4
116.1
(kJ/kg-C)
2.857
2.857
3.699
(kJ/kgmole-C)
139.4
139.4
116.1
(kJ/kg-C)
2.857
2.857
3.699
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
1735
1735
7525
58
COMPOSITION
59
60
Overall Phase
61
62
Fluid Package:
COMPONENTS
63
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
1.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
64
DitBPeroxide
0.0004
0.0006
0.0619
0.0017
0.0001
0.0013
65
Acetone
0.5092
0.6663
29.5716
0.7930
0.0374
0.6341
66
Ethane
0.2546
0.3331
7.6551
0.2053
0.0215
0.3646
67
Total
0.7642
1.0000
37.2886
1.0000
0.0590
1.0000
68
69

Page 3 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
Vapour Phase
12
13
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
14
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
15
DitBPeroxide
0.0004
0.0006
0.0619
0.0017
0.0001
0.0013
16
Acetone
0.5092
0.6663
29.5716
0.7930
0.0374
0.6341
17
Ethane
0.2546
0.3331
7.6551
0.2053
0.0215
0.3646
18
Total
0.7642
1.0000
37.2886
1.0000
0.0590
1.0000
19
Liquid Phase
20
21
COMPONENTS
MOLAR FLOW
(kgmole/h)
22
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
23
DitBPeroxide
0.0000
0.0001
0.0000
0.0006
0.0000
0.0003
24
Acetone
0.0000
0.0461
0.0000
0.0853
0.0000
0.0403
25
Ethane
0.0000
0.9538
0.0000
0.9141
0.0000
0.9594
26
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
27
28
29
30
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
31
32
Overall
33
34
Temperature:
35
Pressure:
36
Molar Flow
37
Mass Flow
38
39
Molar Enthalpy
40
Molar Entropy
41
Heat Flow
42
Vapour Phase
Liquid Phase
0.0000
0.0000
1.0000
(C)
708.3
708.3
708.3
(kPa)
1013
1013
1013
(kgmole/h)
0.0000
0.0000
0.0000
0.0000
(kg/h)
0.0000
0.0000
(m3/h)
0.0000
0.0000
0.0000
(kJ/kgmole)
-2.781e+004
-9.616e+004
-2.781e+004
(kJ/kgmole-C)
353.2
300.2
353.2
(kJ/h)
-0.0000
0.0000
0.0000
0.0000
0.0000
(m3/h)
0.0000 *
43
PROPERTIES
44
45
Overall
46
Molecular Weight
47
Molar Density
48
Mass Density
49
Act. Volume Flow
50
Mass Enthalpy
51
Mass Entropy
52
Heat Capacity
53
Mass Heat Capacity
54
Vapour Phase
Liquid Phase
31.38
48.80
31.38
(kgmole/m3)
55.56
0.1242
55.56
(kg/m3)
1743
6.059
1743
(m3/h)
0.0000
0.0000
0.0000
(kJ/kg)
-886.3
-1971
-886.3
(kJ/kg-C)
11.26
6.151
11.26
(kJ/kgmole-C)
124.4
147.7
124.4
(kJ/kg-C)
3.964
3.028
3.964
(kJ/kgmole)
1.440e+006
1.584e+006
1.440e+006
55
(kJ/kgmole)
1.563e+006
1.707e+006
1.563e+006
56
(kJ/kg)
4.980e+004
3.499e+004
4.980e+004
57
CO2 Loading
---
---
---
58
CO2 App ML Con
(kgmole/m3)
---
---
---
59
CO2 App WT Con
(kgmol/kg)
---
---
---
60
(kJ/kg)
4.588e+004
3.246e+004
4.588e+004
61
62
63
64
Mass Exergy
65
66
Cost Based on Flow
67
68
69
---
---
1.000
0.0000
0.0000
1.000
---
---
---
(kJ/kg)
861.5
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
---
---
---
Avg. Liq. Density
(kgmole/m3)
---
---
---
Page 4 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
Specific Heat
13
Std. Gas Flow
14
15
Act. Liq. Flow
16
Z Factor
17
Watson K
18
User Property
19
20
Cp/(Cp - R)
21
Cp/Cv
22
Heat of Vap.
23
Kinematic Viscosity
24
25
26
Liquid Fraction
27
Molar Volume
28
Mass Heat of Vap.
29
30
Surface Tension
31
32
Viscosity
33
Cv (Semi-Ideal)
34
35
Cv
36
Mass Cv
37
Cv (Ent. Method)
38
39
Cp/Cv (Ent. Method)
40
Reid VP at 37.8 C
(kPa)
41
True VP at 37.8 C
(kPa)
7843
2781
7843
42
0.0000
0.0000
0.0000
43
Viscosity Index
---
---
---
(kJ/kgmole-C)
124.4
147.7
124.4
(STD_m3/h)
0.0000
0.0000
0.0000
(kg/m3)
373.3
631.7
373.3
(m3/s)
0.0000
---
0.0000
(kPa)
---
1.000
2.235e-003
18.70
12.51
18.70
---
---
---
0.0000
---
---
1.072
1.060
1.072
1.072
1.072
1.060
(kJ/kgmole)
2.003e+004
---
---
(cSt)
8.912e-002
4.280
8.912e-002
(kg/m3)
395.8
685.4
395.8
(m3/h)
0.0000
0.0000
0.0000
1.000
0.0000
1.000
(m3/kgmole)
1.800e-002
8.053
1.800e-002
(kJ/kg)
638.3
---
---
0.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
6.011e-002
9.046e-002
6.011e-002
(cP)
0.1554
2.594e-002
0.1554
(kJ/kgmole-C)
116.1
139.4
116.1
(kJ/kg-C)
3.699
2.857
3.699
(kJ/kgmole-C)
116.1
139.4
116.1
(kJ/kg-C)
3.699
2.857
3.699
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
7525
1735
7525
44
COMPOSITION
45
46
Overall Phase
47
48
Fluid Package:
COMPONENTS
49
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
50
DitBPeroxide
0.0000
0.0001
0.0000
0.0006
0.0000
0.0003
51
Acetone
0.0000
0.0461
0.0000
0.0853
0.0000
0.0403
52
Ethane
0.0000
0.9538
0.0000
0.9141
0.0000
0.9594
53
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
54
Vapour Phase
55
56
COMPONENTS
57
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
58
DitBPeroxide
0.0000
0.0006
0.0000
0.0017
0.0000
0.0013
59
Acetone
0.0000
0.6663
0.0000
0.7930
0.0000
0.6341
60
Ethane
0.0000
0.3331
0.0000
0.2053
0.0000
0.3646
61
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
62
Liquid Phase
63
64
COMPONENTS
65
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
66
DitBPeroxide
0.0000
0.0001
0.0000
0.0006
0.0000
0.0003
67
Acetone
0.0000
0.0461
0.0000
0.0853
0.0000
0.0403
68
Ethane
0.0000
0.9538
0.0000
0.9141
0.0000
69

0.9594
Page 5 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
12
13
Fluid Package:
Total
0.0000
1.0000
Phase Fraction
0.0000
1.0000
1.000
0.0000
1.0000
14
15
16
17
CONNECTIONS
18
19
20
Stream Name
21
22
From Unit Operation
feed
23
24
Stream Name
25
26
27
To Unit Operation
vap
liq
28
PARAMETERS
29
30
Physical Parameters
31
Delta P
Vessel Volume
32
0.0000 kPa
1.034 m3
33
Duty
*
Energy Stream
0.0000 kJ/h
User Variables
34
35
REACTION DETAILS
36
Reaction:
37
38
Component
Rxn-1
Mole Weight
39
DitBPeroxide
146.2
-1 *
40
Acetone
58.08
2*
41
Ethane
30.07
1*
42
43
44
45
Set-1
Extents
46
47
Act. % Conv.
48
Rxn-1
Base Comp.
100.0
49
Rxn Extent
DitBPeroxide
3.536e-003
Balance
50
51
Total Inflow
Total Rxn
Total Outflow
52
53
DitBPeroxide
7.083e-005
-7.072e-005
1.177e-007
54
Acetone
0.0000
1.414e-004
1.414e-004
55
Ethane
0.0000
7.072e-005
7.072e-005
56
RATING
57
58
Sizing
59
60
61
Cylinder
Volume
Vertical
1.034 m3 *
Diameter
62
No
Height
1.436
Nozzles
63
64
Reactor has a Boot:

0.9574 m
0.0000 m *
65
Diameter
0.9574 m
Height
1.436
feed
vap
liq
66
Diameter
(m)
7.181e-002
7.181e-002
7.181e-002
67
Elevation (Base)
(m)
0.7181
1.436
0.0000
68
Elevation (Ground)
(m)
0.7181
1.436
0.0000
69

Page 6 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
6
7
8
9
(%)
50.00
10
100.00
0.00
CONDITIONS
11
12
Name
13
Vapour
14
Temperature
15
Pressure
16
Molar Flow
(kgmole/h)
17
Mass Flow
(kg/h)
18
19
Molar Enthalpy
20
Molar Entropy
21
Heat Flow
feed
liq
vap
1.0000
0.0000
1.0000
(C)
217.0000 *
708.2928
708.2928
(kPa)
1013.2500 *
1013.2500
1013.2500
0.2550 *
0.0000
0.7642
0.0000
37.2886
37.2884
(m3/h)
0.0467
0.0000
0.0590
(kJ/kgmole)
-2.882e+005
-2.781e+004
-9.616e+004
(kJ/kgmole-C)
473.8
353.2
300.2
(kJ/h)
-7.3479e+04
-0.0000e-01
-7.3478e+04
22
PROPERTIES
23
24
Name
25
Molecular Weight
26
Molar Density
27
Mass Density
28
Act. Volume Flow
29
Mass Enthalpy
30
31
32
Mass Heat Capacity
33
feed
liq
vap
146.2
31.38
48.80
(kgmole/m3)
0.2486
55.56
0.1242
(kg/m3)
36.36
1743
6.059
(m3/h)
1.026
0.0000
6.154
(kJ/kg)
-1971
-886.3
-1971
Mass Entropy
(kJ/kg-C)
3.240
11.26
6.151
Heat Capacity
(kJ/kgmole-C)
322.8
124.4
147.7
(kJ/kg-C)
2.207
3.964
3.028
(kJ/kgmole)
4.940e+006
1.440e+006
1.584e+006
34
(kJ/kgmole)
5.309e+006
1.563e+006
1.707e+006
35
(kJ/kg)
3.631e+004
4.980e+004
3.499e+004
36
CO2 Loading
---
---
---
37
---
---
---
38
(kgmol/kg)
---
---
---
39
(kJ/kg)
3.378e+004
4.588e+004
3.246e+004
40
1.000
---
1.000
41
1.000
0.0000
1.000
42
1.000
---
1.000
43
Mass Exergy
(kJ/kg)
125.7
861.5
920.9
44
(kPa)
0.0000
0.0000
0.0000
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
1.026
---
6.154
47
Avg. Liq. Density
(kgmole/m3)
5.461
---
12.94
48
Specific Heat
(kJ/kgmole-C)
322.8
124.4
147.7
49
Std. Gas Flow
(STD_m3/h)
6.029
0.0000
18.07
50
(kg/m3)
798.6
373.3
631.7
51
Act. Liq. Flow
(m3/s)
---
0.0000
---
52
Z Factor
1.000
---
---
53
Watson K
11.05
18.70
12.51
54
User Property
55
56
57
58
Heat of Vap.
59
Kinematic Viscosity
60
61
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
66
Surface Tension
67
68
Viscosity
69
---
---
---
0.0000
0.0000
0.0000
Cp/(Cp - R)
1.026
1.072
1.060
Cp/Cv
1.026
1.072
1.060
(kJ/kgmole)
2.538e+004
2.003e+004
3.726e+004
4.280
(kPa)
(cSt)
0.3050
8.912e-002
(kg/m3)
799.2
395.8
685.4
(m3/h)
4.666e-002
0.0000
5.440e-002
0.0000
1.000
0.0000
(m3/kgmole)
4.022
1.800e-002
8.053
(kJ/kg)
173.5
638.3
763.6
1.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
2.754e-002
6.011e-002
9.046e-002
(cP)
1.109e-002
0.1554
2.594e-002
Page 7 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:26 2015
7
8
9
PROPERTIES
10
11
Name
12
Cv (Semi-Ideal)
13
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
(kPa)
20
True VP at 37.8 C
(kPa)
6.453
7843
2781
21
4.666e-002
0.0000
5.440e-002
22
Viscosity Index
-14.19
---
---
feed
liq
314.5
116.1
139.4
(kJ/kg-C)
2.151
3.699
2.857
(kJ/kgmole-C)
314.5
116.1
139.4
(kJ/kg-C)
2.151
3.699
2.857
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
6.453
7525
1735
23
DYNAMICS
24
25
26
27
Vessel Volume
28
Vessel Diameter
29
30
1.034 *
(m3)
(m)
0.9574
Vessel Height
(m)
1.436
(%)
1.00 *
31
Level Calculator
Vertical cylinder
Fraction Calculator
Feed Delta P
(kPa)
0.0000
Vessel Pressure
(kPa)
1013
32
33
vap
(kJ/kgmole-C)
Phase
Level
(m)
Percent
(%)
Volume
(m3)
35
Vapour
---
---
0.0000
36
Liquid
---
---
0.0000
37
Aqueous
---
---
0.0000
Volume
(m3)
34
38
Holdup: Details
39
40
Phase
Accumulation
(kgmole/h)
Moles
(kgmole)
42
Vapour
0.0000
0.0000
0.0000
43
Liquid
0.0000
0.0000
0.0000
44
Aqueous
0.0000
0.0000
45
Total
0.0000
0.0000
41
46
0.0000
0.0000
NOTES
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69

Page 8 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
7
8
9
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
10
11
Overall
12
13
Temperature:
14
Pressure:
15
Molar Flow
16
Mass Flow
17
18
Molar Enthalpy
19
Molar Entropy
20
Heat Flow
21
Vapour Phase
1.0000
1.0000
(C)
217.0 *
(kPa)
1013 *
1013
(kgmole/h)
1.500 *
1.500
217.0
(kg/h)
219.3
219.3
(m3/h)
0.2747
0.2747
-2.882e+005
(kJ/kgmole)
-2.882e+005
(kJ/kgmole-C)
473.8
473.8
(kJ/h)
-4.322e+005
-4.322e+005
(m3/h)
0.2745 *
22
0.2745
PROPERTIES
23
24
Overall
25
Molecular Weight
26
Molar Density
27
Mass Density
28
Act. Volume Flow
29
Mass Enthalpy
30
31
32
Mass Heat Capacity
33
Vapour Phase
146.2
146.2
(kgmole/m3)
0.2486
0.2486
(kg/m3)
36.36
36.36
(m3/h)
6.033
6.033
(kJ/kg)
-1971
-1971
Mass Entropy
(kJ/kg-C)
3.240
3.240
Heat Capacity
(kJ/kgmole-C)
322.8
322.8
(kJ/kg-C)
2.207
2.207
(kJ/kgmole)
4.940e+006
4.940e+006
34
(kJ/kgmole)
5.309e+006
5.309e+006
35
(kJ/kg)
3.631e+004
3.631e+004
36
CO2 Loading
---
---
37
CO2 App ML Con
(kgmole/m3)
---
---
38
CO2 App WT Con
(kgmol/kg)
---
---
39
(kJ/kg)
3.378e+004
3.378e+004
40
1.000
1.000
41
1.000
1.000
42
1.000
1.000
43
Mass Exergy
(kJ/kg)
125.7
---
44
(kPa)
0.0000
---
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
6.033
6.033
47
Avg. Liq. Density
(kgmole/m3)
5.461
5.461
48
Specific Heat
(kJ/kgmole-C)
322.8
322.8
49
Std. Gas Flow
(STD_m3/h)
35.47
35.47
50
(kg/m3)
798.6
798.6
51
Act. Liq. Flow
(m3/s)
---
---
52
Z Factor
1.000
1.000
53
Watson K
11.05
11.05
54
User Property
---
---
55
56
Cp/(Cp - R)
57
Cp/Cv
58
Heat of Vap.
59
Kinematic Viscosity
60
61
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
66
Surface Tension
67
68
Viscosity
69

(kPa)
0.0000
---
1.026
1.026
1.026
1.026
(kJ/kgmole)
2.538e+004
---
(cSt)
0.3050
0.3050
(kg/m3)
799.2
799.2
(m3/h)
0.2745
0.2745
0.0000
0.0000
(m3/kgmole)
4.022
4.022
(kJ/kg)
173.5
---
1.0000
1.0000
(dyne/cm)
---
---
(W/m-K)
2.754e-002
2.754e-002
(cP)
1.109e-002
1.109e-002
Page 1 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
12
Cv (Semi-Ideal)
13
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
(kPa)
20
True VP at 37.8 C
(kPa)
6.453
6.453
21
0.2745
0.2745
22
Viscosity Index
-14.19
---
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
---
---
(kJ/kg-C)
---
---
---
---
6.453
6.453
23
COMPOSITION
24
25
Overall Phase
26
27
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
28
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
1.0000
LIQUID VOLUME
FRACTION
29
DitBPeroxide
1.5000 *
1.0000 *
219.3435 *
1.0000 *
0.2747 *
1.0000 *
30
Acetone
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
31
Ethane
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
32
Total
1.5000
1.0000
1.0000
0.2747
1.0000
33
Vapour Phase
34
35
219.3435
COMPONENTS
MOLAR FLOW
(kgmole/h)
36
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
37
DitBPeroxide
1.5000
1.0000
219.3435
1.0000
0.2747
1.0000
38
Acetone
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
39
Ethane
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
40
Total
1.5000
1.0000
219.3435
1.0000
0.2747
1.0000
41
42
43
44
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
45
46
Overall
47
48
Temperature:
49
Pressure:
50
Molar Flow
51
Mass Flow
52
53
Molar Enthalpy
54
Molar Entropy
55
Heat Flow
56
Vapour Phase
Liquid Phase
1.0000
1.0000
0.0000
(C)
704.5
704.5
704.5
(kPa)
1013
1013
1013
(kgmole/h)
4.470
4.470
0.0000
0.0000
(kg/h)
219.3
219.3
(m3/h)
0.3466
0.3466
0.0000
(kJ/kgmole)
-9.669e+004
-9.669e+004
-2.908e+004
(kJ/kgmole-C)
301.0
301.0
352.8
(kJ/h)
-4.322e+005
-4.322e+005
0.0000
0.3195
0.0000
(m3/h)
0.3195 *
57
PROPERTIES
58
59
Overall
60
Molecular Weight
61
Molar Density
62
Mass Density
63
Act. Volume Flow
64
Mass Enthalpy
65
Mass Entropy
66
Heat Capacity
67
Mass Heat Capacity
68
69
Fluid Package:
Liquid Phase
49.07
31.61
(kgmole/m3)
0.1247
0.1247
55.56
(kg/m3)
6.117
6.117
1756
(m3/h)
35.86
35.86
0.0000
(kJ/kg)
-1971
-1971
-919.9
(kJ/kg-C)
6.134
6.134
11.16
(kJ/kgmole-C)
148.4
148.4
124.8
(kJ/kg-C)
3.024
3.024
3.947
(kJ/kgmole)
1.594e+006
1.594e+006
1.443e+006

Vapour Phase
49.07
Page 2 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
(kJ/kgmole)
1.717e+006
1.717e+006
1.566e+006
13
(kJ/kg)
3.500e+004
3.500e+004
4.954e+004
14
CO2 Loading
---
---
---
15
CO2 App ML Con
(kgmole/m3)
---
---
---
16
CO2 App WT Con
(kgmol/kg)
---
---
---
17
(kJ/kg)
3.247e+004
3.247e+004
4.564e+004
18
1.000
1.000
---
19
1.000
1.000
0.0000
20
21
Mass Exergy
22
23
Cost Based on Flow
24
25
26
Specific Heat
27
Std. Gas Flow
28
29
Act. Liq. Flow
30
Z Factor
31
Watson K
32
User Property
33
34
Cp/(Cp - R)
35
Cp/Cv
36
Heat of Vap.
37
Kinematic Viscosity
38
39
40
Liquid Fraction
41
Molar Volume
42
Mass Heat of Vap.
43
44
Surface Tension
45
46
Viscosity
47
Cv (Semi-Ideal)
48
49
Cv
50
Mass Cv
51
Cv (Ent. Method)
52
53
Cp/Cv (Ent. Method)
54
Reid VP at 37.8 C
(kPa)
55
True VP at 37.8 C
(kPa)
2757
2757
7686
56
0.3195
0.3195
0.0000
57
Viscosity Index
---
---
---
1.000
1.000
0.0000
(kJ/kg)
912.9
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
35.86
35.86
---
Avg. Liq. Density
(kgmole/m3)
12.90
12.90
11.90
(kJ/kgmole-C)
148.4
148.4
124.8
(STD_m3/h)
105.7
105.7
0.0000
(kg/m3)
632.8
632.8
376.2
(m3/s)
---
---
---
---
1.000
2.244e-003
12.49
12.49
18.59
---
---
---
0.0000
---
---
1.059
1.059
1.071
1.071
(kPa)
1.059
1.059
(kJ/kgmole)
3.746e+004
---
---
(cSt)
4.230
4.230
8.874e-002
(kg/m3)
686.5
686.5
401.0
(m3/h)
0.3195
0.3195
0.0000
0.0000
0.0000
1.000
8.022
8.022
1.800e-002
(m3/kgmole)
(kJ/kg)
763.4
---
---
1.0000
1.0000
0.0000
(dyne/cm)
---
---
0.0000
(W/m-K)
8.997e-002
8.997e-002
5.987e-002
(cP)
2.588e-002
2.588e-002
0.1559
(kJ/kgmole-C)
140.1
140.1
116.5
(kJ/kg-C)
2.855
2.855
3.684
(kJ/kgmole-C)
140.1
140.1
116.5
(kJ/kg-C)
2.855
2.855
3.684
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
1720
1720
7326
58
COMPOSITION
59
60
Overall Phase
61
62
Fluid Package:
COMPONENTS
63
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
1.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
64
DitBPeroxide
0.0150
0.0034
2.1919
0.0100
0.0027
0.0079
65
Acetone
2.9700
0.6644
172.4988
0.7864
0.2184
0.6299
66
Ethane
1.4850
0.3322
44.6541
0.2036
0.1255
0.3622
67
Total
4.4700
1.0000
219.3448
1.0000
0.3466
1.0000
68
69

Page 3 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
Vapour Phase
12
13
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
14
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
15
DitBPeroxide
0.0150
0.0034
2.1919
0.0100
0.0027
0.0079
16
Acetone
2.9700
0.6644
172.4988
0.7864
0.2184
0.6299
17
Ethane
1.4850
0.3322
44.6541
0.2036
0.1255
0.3622
18
Total
4.4700
1.0000
219.3448
1.0000
0.3466
1.0000
19
Liquid Phase
20
21
COMPONENTS
MOLAR FLOW
(kgmole/h)
22
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
23
DitBPeroxide
0.0000
0.0006
0.0000
0.0029
0.0000
0.0014
24
Acetone
0.0000
0.0525
0.0000
0.0964
0.0000
0.0459
25
Ethane
0.0000
0.9469
0.0000
0.9007
0.0000
0.9527
26
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
27
28
29
30
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
31
32
Overall
33
34
Temperature:
35
Pressure:
36
Molar Flow
37
Mass Flow
38
39
Molar Enthalpy
40
Molar Entropy
41
Heat Flow
42
Vapour Phase
Liquid Phase
0.0000
0.0000
1.0000
(C)
704.5
704.5
704.5
(kPa)
1013
1013
1013
(kgmole/h)
0.0000
0.0000
0.0000
0.0000
(kg/h)
0.0000
0.0000
(m3/h)
0.0000
0.0000
0.0000
(kJ/kgmole)
-2.908e+004
-9.669e+004
-2.908e+004
(kJ/kgmole-C)
352.8
301.0
352.8
(kJ/h)
-0.0000
0.0000
0.0000
0.0000
0.0000
(m3/h)
0.0000 *
43
PROPERTIES
44
45
Overall
46
Molecular Weight
47
Molar Density
48
Mass Density
49
Act. Volume Flow
50
Mass Enthalpy
51
Mass Entropy
52
Heat Capacity
53
Mass Heat Capacity
54
Vapour Phase
Liquid Phase
31.61
49.07
31.61
(kgmole/m3)
55.56
0.1247
55.56
(kg/m3)
1756
6.117
1756
(m3/h)
0.0000
0.0000
0.0000
(kJ/kg)
-919.9
-1971
-919.9
(kJ/kg-C)
11.16
6.134
11.16
(kJ/kgmole-C)
124.8
148.4
124.8
(kJ/kg-C)
3.947
3.024
3.947
(kJ/kgmole)
1.443e+006
1.594e+006
1.443e+006
55
(kJ/kgmole)
1.566e+006
1.717e+006
1.566e+006
56
(kJ/kg)
4.954e+004
3.500e+004
4.954e+004
57
CO2 Loading
---
---
---
58
CO2 App ML Con
(kgmole/m3)
---
---
---
59
CO2 App WT Con
(kgmol/kg)
---
---
---
60
(kJ/kg)
4.564e+004
3.247e+004
4.564e+004
61
62
63
64
Mass Exergy
65
66
Cost Based on Flow
67
68
69
---
---
1.000
0.0000
0.0000
1.000
---
---
---
(kJ/kg)
847.1
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
---
---
---
Avg. Liq. Density
(kgmole/m3)
---
---
---
Page 4 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
Specific Heat
13
Std. Gas Flow
14
15
Act. Liq. Flow
16
Z Factor
17
Watson K
18
User Property
19
20
Cp/(Cp - R)
21
Cp/Cv
22
Heat of Vap.
23
Kinematic Viscosity
24
25
26
Liquid Fraction
27
Molar Volume
28
Mass Heat of Vap.
29
30
Surface Tension
31
32
Viscosity
33
Cv (Semi-Ideal)
34
35
Cv
36
Mass Cv
37
Cv (Ent. Method)
38
39
Cp/Cv (Ent. Method)
40
Reid VP at 37.8 C
(kPa)
41
True VP at 37.8 C
(kPa)
7686
2757
7686
42
0.0000
0.0000
0.0000
43
Viscosity Index
---
---
---
(kJ/kgmole-C)
124.8
148.4
124.8
(STD_m3/h)
0.0000
0.0000
0.0000
(kg/m3)
376.2
632.8
376.2
(m3/s)
0.0000
---
0.0000
(kPa)
---
1.000
2.244e-003
18.59
12.49
18.59
---
---
---
0.0000
---
---
1.071
1.059
1.071
1.071
1.071
1.059
(kJ/kgmole)
2.049e+004
---
---
(cSt)
8.874e-002
4.230
8.874e-002
(kg/m3)
401.0
686.5
401.0
(m3/h)
0.0000
0.0000
0.0000
1.000
0.0000
1.000
(m3/kgmole)
1.800e-002
8.022
1.800e-002
(kJ/kg)
648.0
---
---
0.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
5.987e-002
8.997e-002
5.987e-002
(cP)
0.1559
2.588e-002
0.1559
(kJ/kgmole-C)
116.5
140.1
116.5
(kJ/kg-C)
3.684
2.855
3.684
(kJ/kgmole-C)
116.5
140.1
116.5
(kJ/kg-C)
3.684
2.855
3.684
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
7326
1720
7326
44
COMPOSITION
45
46
Overall Phase
47
48
Fluid Package:
COMPONENTS
49
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
50
DitBPeroxide
0.0000
0.0006
0.0000
0.0029
0.0000
0.0014
51
Acetone
0.0000
0.0525
0.0000
0.0964
0.0000
0.0459
52
Ethane
0.0000
0.9469
0.0000
0.9007
0.0000
0.9527
53
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
54
Vapour Phase
55
56
COMPONENTS
57
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
58
DitBPeroxide
0.0000
0.0034
0.0000
0.0100
0.0000
0.0079
59
Acetone
0.0000
0.6644
0.0000
0.7864
0.0000
0.6299
60
Ethane
0.0000
0.3322
0.0000
0.2036
0.0000
0.3622
61
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
62
Liquid Phase
63
64
COMPONENTS
65
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
66
DitBPeroxide
0.0000
0.0006
0.0000
0.0029
0.0000
0.0014
67
Acetone
0.0000
0.0525
0.0000
0.0964
0.0000
0.0459
68
Ethane
0.0000
0.9469
0.0000
0.9007
0.0000
69

0.9527
Page 5 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
12
13
Fluid Package:
Total
0.0000
1.0000
Phase Fraction
0.0000
1.0000
1.000
0.0000
1.0000
14
15
16
17
CONNECTIONS
18
19
20
Stream Name
21
22
From Unit Operation
feed
23
24
Stream Name
25
26
27
To Unit Operation
vap
liq
28
PARAMETERS
29
30
Physical Parameters
31
Delta P
Vessel Volume
32
0.0000 kPa
1.034 m3
33
Duty
*
Energy Stream
0.0000 kJ/h
User Variables
34
35
REACTION DETAILS
36
Reaction:
37
38
Component
Rxn-1
Mole Weight
39
DitBPeroxide
146.2
-1 *
40
Acetone
58.08
2*
41
Ethane
30.07
1*
42
43
44
45
Set-1
Extents
46
47
Act. % Conv.
48
Rxn-1
Base Comp.
100.0
49
Rxn Extent
DitBPeroxide
2.063e-002
Balance
50
51
Total Inflow
Total Rxn
Total Outflow
52
53
DitBPeroxide
4.167e-004
-4.125e-004
4.164e-006
54
Acetone
0.0000
8.250e-004
8.250e-004
55
Ethane
0.0000
4.125e-004
4.125e-004
56
RATING
57
58
Sizing
59
60
61
Cylinder
Volume
Vertical
1.034 m3 *
Diameter
62
No
Height
1.436
Nozzles
63
64
Reactor has a Boot:

0.9574 m
0.0000 m *
65
Diameter
0.9574 m
Height
1.436
feed
vap
liq
66
Diameter
(m)
7.181e-002
7.181e-002
7.181e-002
67
Elevation (Base)
(m)
0.7181
1.436
0.0000
68
Elevation (Ground)
(m)
0.7181
1.436
0.0000
69

Page 6 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
6
7
8
9
(%)
50.00
10
100.00
0.00
CONDITIONS
11
12
Name
13
Vapour
14
Temperature
15
Pressure
16
Molar Flow
(kgmole/h)
17
Mass Flow
(kg/h)
18
19
Molar Enthalpy
20
Molar Entropy
21
Heat Flow
feed
liq
vap
1.0000
0.0000
1.0000
(C)
217.0000 *
704.5145
704.5145
(kPa)
1013.2500 *
1013.2500
1013.2500
1.5000 *
0.0000
4.4700
0.0000
219.3448
219.3435
(m3/h)
0.2747
0.0000
0.3466
(kJ/kgmole)
-2.882e+005
-2.908e+004
-9.669e+004
(kJ/kgmole-C)
473.8
352.8
301.0
(kJ/h)
-4.3223e+05
-0.0000e-01
-4.3223e+05
22
PROPERTIES
23
24
Name
25
Molecular Weight
26
Molar Density
27
Mass Density
28
Act. Volume Flow
29
Mass Enthalpy
30
31
32
Mass Heat Capacity
33
feed
liq
vap
146.2
31.61
49.07
(kgmole/m3)
0.2486
55.56
0.1247
(kg/m3)
36.36
1756
6.117
(m3/h)
6.033
0.0000
35.86
(kJ/kg)
-1971
-919.9
-1971
Mass Entropy
(kJ/kg-C)
3.240
11.16
6.134
Heat Capacity
(kJ/kgmole-C)
322.8
124.8
148.4
(kJ/kg-C)
2.207
3.947
3.024
(kJ/kgmole)
4.940e+006
1.443e+006
1.594e+006
34
(kJ/kgmole)
5.309e+006
1.566e+006
1.717e+006
35
(kJ/kg)
3.631e+004
4.954e+004
3.500e+004
36
CO2 Loading
---
---
---
37
---
---
---
38
(kgmol/kg)
---
---
---
39
(kJ/kg)
3.378e+004
4.564e+004
3.247e+004
40
1.000
---
1.000
41
1.000
0.0000
1.000
42
1.000
---
1.000
43
Mass Exergy
(kJ/kg)
125.7
847.1
912.9
44
(kPa)
0.0000
0.0000
0.0000
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
6.033
---
35.86
47
Avg. Liq. Density
(kgmole/m3)
5.461
---
12.90
48
Specific Heat
(kJ/kgmole-C)
322.8
124.8
148.4
49
Std. Gas Flow
(STD_m3/h)
35.47
0.0000
105.7
50
(kg/m3)
798.6
376.2
632.8
51
Act. Liq. Flow
(m3/s)
---
0.0000
---
52
Z Factor
1.000
---
---
53
Watson K
11.05
18.59
12.49
54
User Property
55
56
57
58
Heat of Vap.
59
Kinematic Viscosity
60
61
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
66
Surface Tension
67
68
Viscosity
69
---
---
---
0.0000
0.0000
0.0000
Cp/(Cp - R)
1.026
1.071
1.059
Cp/Cv
1.026
1.071
1.059
(kJ/kgmole)
2.538e+004
2.049e+004
3.746e+004
4.230
(kPa)
(cSt)
0.3050
8.874e-002
(kg/m3)
799.2
401.0
686.5
(m3/h)
0.2745
0.0000
0.3195
0.0000
1.000
0.0000
(m3/kgmole)
4.022
1.800e-002
8.022
(kJ/kg)
173.5
648.0
763.4
1.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
2.754e-002
5.987e-002
8.997e-002
(cP)
1.109e-002
0.1559
2.588e-002
Page 7 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:23:56 2015
7
8
9
PROPERTIES
10
11
Name
12
Cv (Semi-Ideal)
13
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
(kPa)
20
True VP at 37.8 C
(kPa)
6.453
7686
2757
21
0.2745
0.0000
0.3195
22
Viscosity Index
-14.19
---
---
feed
liq
314.5
116.5
140.1
(kJ/kg-C)
2.151
3.684
2.855
(kJ/kgmole-C)
314.5
116.5
140.1
(kJ/kg-C)
2.151
3.684
2.855
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
6.453
7326
1720
23
DYNAMICS
24
25
26
27
Vessel Volume
28
Vessel Diameter
29
30
1.034 *
(m3)
(m)
0.9574
Vessel Height
(m)
1.436
(%)
1.00 *
31
Level Calculator
Vertical cylinder
Fraction Calculator
Feed Delta P
(kPa)
0.0000
Vessel Pressure
(kPa)
1013
32
33
vap
(kJ/kgmole-C)
Phase
Level
(m)
Percent
(%)
Volume
(m3)
35
Vapour
---
---
0.0000
36
Liquid
---
---
0.0000
37
Aqueous
---
---
0.0000
Volume
(m3)
34
38
Holdup: Details
39
40
Phase
Accumulation
(kgmole/h)
Moles
(kgmole)
42
Vapour
0.0000
0.0000
0.0000
43
Liquid
0.0000
0.0000
0.0000
44
Aqueous
0.0000
0.0000
45
Total
0.0000
0.0000
41
46
0.0000
0.0000
NOTES
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69

Page 8 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
7
8
9
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
10
11
Overall
12
13
Temperature:
14
Pressure:
15
Molar Flow
16
Mass Flow
17
18
Molar Enthalpy
19
Molar Entropy
20
Heat Flow
21
Vapour Phase
1.0000
1.0000
(C)
217.0 *
(kPa)
1013 *
1013
(kgmole/h)
15.00 *
15.00
217.0
(kg/h)
2193
2193
(m3/h)
2.747
2.747
-2.882e+005
(kJ/kgmole)
-2.882e+005
(kJ/kgmole-C)
473.8
473.8
(kJ/h)
-4.322e+006
-4.322e+006
2.745 *
(m3/h)
22
2.745
PROPERTIES
23
24
Overall
25
Molecular Weight
26
Molar Density
27
Mass Density
28
Act. Volume Flow
29
Mass Enthalpy
30
31
32
Mass Heat Capacity
33
Vapour Phase
146.2
146.2
(kgmole/m3)
0.2486
0.2486
(kg/m3)
36.36
36.36
(m3/h)
60.33
60.33
(kJ/kg)
-1971
-1971
Mass Entropy
(kJ/kg-C)
3.240
3.240
Heat Capacity
(kJ/kgmole-C)
322.8
322.8
(kJ/kg-C)
2.207
2.207
(kJ/kgmole)
4.940e+006
4.940e+006
34
(kJ/kgmole)
5.309e+006
5.309e+006
35
(kJ/kg)
3.631e+004
3.631e+004
36
CO2 Loading
---
---
37
CO2 App ML Con
(kgmole/m3)
---
---
38
CO2 App WT Con
(kgmol/kg)
---
---
39
(kJ/kg)
3.378e+004
3.378e+004
40
1.000
1.000
41
1.000
1.000
42
1.000
1.000
43
Mass Exergy
(kJ/kg)
125.7
---
44
(kPa)
0.0000
---
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
60.33
60.33
47
Avg. Liq. Density
(kgmole/m3)
5.461
5.461
48
Specific Heat
(kJ/kgmole-C)
322.8
322.8
49
Std. Gas Flow
(STD_m3/h)
354.7
354.7
50
(kg/m3)
798.6
798.6
51
Act. Liq. Flow
(m3/s)
---
---
52
Z Factor
1.000
1.000
53
Watson K
11.05
11.05
54
User Property
---
---
55
56
Cp/(Cp - R)
57
Cp/Cv
58
Heat of Vap.
59
Kinematic Viscosity
60
61
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
66
Surface Tension
67
68
Viscosity
69

(kPa)
0.0000
---
1.026
1.026
1.026
1.026
(kJ/kgmole)
2.538e+004
---
(cSt)
0.3050
0.3050
(kg/m3)
799.2
799.2
(m3/h)
2.745
2.745
0.0000
0.0000
(m3/kgmole)
4.022
4.022
(kJ/kg)
173.5
---
1.0000
1.0000
(dyne/cm)
---
---
(W/m-K)
2.754e-002
2.754e-002
(cP)
1.109e-002
1.109e-002
Page 1 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
12
Cv (Semi-Ideal)
13
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
20
True VP at 37.8 C
21
22
Viscosity Index
Vapour Phase
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
314.5
314.5
(kJ/kg-C)
2.151
2.151
(kJ/kgmole-C)
---
---
(kJ/kg-C)
---
---
---
---
(kPa)
6.453
6.453
(kPa)
6.453
6.453
2.745
2.745
-14.19
---
23
COMPOSITION
24
25
Overall Phase
26
27
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
28
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
1.0000
LIQUID VOLUME
FRACTION
29
DitBPeroxide
15.0000 *
1.0000 *
2193.4351 *
1.0000 *
2.7467 *
1.0000 *
30
Acetone
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
31
Ethane
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
0.0000 *
32
Total
1.0000
2.7467
1.0000
15.0000
1.0000
33
Vapour Phase
34
35
2193.4351
COMPONENTS
MOLAR FLOW
(kgmole/h)
36
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
37
DitBPeroxide
15.0000
1.0000
2193.4351
1.0000
2.7467
1.0000
38
Acetone
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
39
Ethane
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
40
Total
15.0000
1.0000
2193.4351
1.0000
2.7467
1.0000
41
42
43
44
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
45
46
Overall
47
48
Temperature:
49
Pressure:
50
Molar Flow
51
Mass Flow
52
53
Molar Enthalpy
54
Molar Entropy
55
Heat Flow
56
Vapour Phase
Liquid Phase
1.0000
1.0000
0.0000
(C)
640.0
640.0
640.0
(kPa)
1013
1013
1013
(kgmole/h)
40.45
40.45
0.0000
0.0000
(kg/h)
2193
2193
(m3/h)
3.364
3.364
0.0000
(kJ/kgmole)
-1.068e+005
-1.068e+005
-5.460e+004
(kJ/kgmole-C)
315.2
315.2
349.7
(kJ/h)
-4.322e+006
-4.322e+006
0.0000
3.111
0.0000
3.111 *
(m3/h)
57
PROPERTIES
58
59
Overall
60
Molecular Weight
61
Molar Density
62
Mass Density
63
Act. Volume Flow
64
Mass Enthalpy
65
Mass Entropy
66
Heat Capacity
67
Mass Heat Capacity
68
69
Fluid Package:
Liquid Phase
54.22
37.47
(kgmole/m3)
0.1335
0.1335
55.56
(kg/m3)
7.237
7.237
2082
(m3/h)
303.1
303.1
0.0000
(kJ/kg)
-1971
-1971
-1457
(kJ/kg-C)
5.814
5.814
9.334
(kJ/kgmole-C)
160.4
160.4
136.3
(kJ/kg-C)
2.958
2.958
3.637
(kJ/kgmole)
1.771e+006
1.771e+006
1.543e+006

Vapour Phase
54.22
Page 2 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
(kJ/kgmole)
1.908e+006
1.908e+006
1.671e+006
13
(kJ/kg)
3.519e+004
3.519e+004
4.459e+004
14
CO2 Loading
---
---
---
15
CO2 App ML Con
(kgmole/m3)
---
---
---
16
CO2 App WT Con
(kgmol/kg)
---
---
---
17
(kJ/kg)
3.266e+004
3.266e+004
4.117e+004
18
1.000
1.000
---
19
1.000
1.000
0.0000
20
21
Mass Exergy
22
23
Cost Based on Flow
24
25
26
Specific Heat
27
Std. Gas Flow
28
29
Act. Liq. Flow
30
Z Factor
31
Watson K
32
User Property
33
34
Cp/(Cp - R)
35
Cp/Cv
36
Heat of Vap.
37
Kinematic Viscosity
38
39
40
Liquid Fraction
41
Molar Volume
42
Mass Heat of Vap.
43
44
Surface Tension
45
46
Viscosity
47
Cv (Semi-Ideal)
48
49
Cv
50
Mass Cv
51
Cv (Ent. Method)
52
53
Cp/Cv (Ent. Method)
54
Reid VP at 37.8 C
(kPa)
55
True VP at 37.8 C
(kPa)
2357
2357
5763
56
3.111
3.111
0.0000
57
Viscosity Index
---
---
---
1.000
1.000
0.0000
(kJ/kg)
779.4
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
303.1
303.1
---
Avg. Liq. Density
(kgmole/m3)
12.03
12.03
11.82
(kJ/kgmole-C)
160.4
160.4
136.3
(STD_m3/h)
956.5
956.5
0.0000
(kg/m3)
652.1
652.1
442.7
(m3/s)
---
---
---
---
1.000
2.402e-003
12.25
12.25
16.37
---
---
---
0.0000
---
---
1.055
1.055
1.065
1.065
(kPa)
1.055
1.055
(kJ/kgmole)
4.021e+004
---
---
(cSt)
3.427
3.427
8.385e-002
(kg/m3)
705.0
705.0
498.5
(m3/h)
3.111
3.111
0.0000
0.0000
0.0000
1.000
7.493
7.493
1.800e-002
(m3/kgmole)
(kJ/kg)
741.7
---
---
1.0000
1.0000
0.0000
(dyne/cm)
---
---
0.0000
(W/m-K)
8.161e-002
8.161e-002
5.484e-002
(cP)
2.480e-002
2.480e-002
0.1745
(kJ/kgmole-C)
152.1
152.1
127.9
(kJ/kg-C)
2.804
2.804
3.415
(kJ/kgmole-C)
152.1
152.1
127.9
(kJ/kg-C)
2.804
2.804
3.415
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
1468
1468
4931
58
COMPOSITION
59
60
Overall Phase
61
62
Fluid Package:
COMPONENTS
63
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
1.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
64
DitBPeroxide
2.2735
0.0562
332.4475
0.1516
0.4163
0.1238
65
Acetone
25.4531
0.6292
1478.3136
0.6740
1.8713
0.5563
66
Ethane
12.7265
0.3146
382.6854
0.1745
1.0759
0.3199
67
Total
40.4531
1.0000
2193.4465
1.0000
3.3635
1.0000
68
69

Page 3 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
Vapour Phase
12
13
Fluid Package:
COMPONENTS
MOLAR FLOW
(kgmole/h)
14
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
15
DitBPeroxide
2.2735
0.0562
332.4475
0.1516
0.4163
0.1238
16
Acetone
25.4531
0.6292
1478.3136
0.6740
1.8713
0.5563
17
Ethane
12.7265
0.3146
382.6854
0.1745
1.0759
0.3199
18
Total
40.4531
1.0000
2193.4465
1.0000
3.3635
1.0000
19
Liquid Phase
20
21
COMPONENTS
MOLAR FLOW
(kgmole/h)
22
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
23
DitBPeroxide
0.0000
0.0208
0.0000
0.0812
0.0000
0.0450
24
Acetone
0.0000
0.1778
0.0000
0.2756
0.0000
0.1545
25
Ethane
0.0000
0.8014
0.0000
0.6431
0.0000
0.8005
26
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
27
28
29
30
Fluid Package:
Basis-1
Property Package:
UNIQUAC - Ideal
CONDITIONS
31
32
Overall
33
34
Temperature:
35
Pressure:
36
Molar Flow
37
Mass Flow
38
39
Molar Enthalpy
40
Molar Entropy
41
Heat Flow
42
Vapour Phase
Liquid Phase
0.0000
0.0000
1.0000
(C)
640.0
640.0
640.0
(kPa)
1013
1013
1013
(kgmole/h)
0.0000
0.0000
0.0000
0.0000
(kg/h)
0.0000
0.0000
(m3/h)
0.0000
0.0000
0.0000
(kJ/kgmole)
-5.460e+004
-1.068e+005
-5.460e+004
(kJ/kgmole-C)
349.7
315.2
349.7
(kJ/h)
-0.0000
0.0000
0.0000
0.0000
0.0000
(m3/h)
0.0000 *
43
PROPERTIES
44
45
Overall
46
Molecular Weight
47
Molar Density
48
Mass Density
49
Act. Volume Flow
50
Mass Enthalpy
51
Mass Entropy
52
Heat Capacity
53
Mass Heat Capacity
54
Vapour Phase
Liquid Phase
37.47
54.22
37.47
(kgmole/m3)
55.56
0.1335
55.56
(kg/m3)
2082
7.237
2082
(m3/h)
0.0000
0.0000
0.0000
(kJ/kg)
-1457
-1971
-1457
(kJ/kg-C)
9.334
5.814
9.334
(kJ/kgmole-C)
136.3
160.4
136.3
(kJ/kg-C)
3.637
2.958
3.637
(kJ/kgmole)
1.543e+006
1.771e+006
1.543e+006
55
(kJ/kgmole)
1.671e+006
1.908e+006
1.671e+006
56
(kJ/kg)
4.459e+004
3.519e+004
4.459e+004
57
CO2 Loading
---
---
---
58
CO2 App ML Con
(kgmole/m3)
---
---
---
59
CO2 App WT Con
(kgmol/kg)
---
---
---
60
(kJ/kg)
4.117e+004
3.266e+004
4.117e+004
61
62
63
64
Mass Exergy
65
66
Cost Based on Flow
67
68
69
---
---
1.000
0.0000
0.0000
1.000
---
---
---
(kJ/kg)
614.0
---
---
(kPa)
0.0000
---
---
(Cost/s)
0.0000
0.0000
0.0000
Act. Gas Flow
(ACT_m3/h)
---
---
---
Avg. Liq. Density
(kgmole/m3)
---
---
---
Page 4 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
PROPERTIES
10
11
Overall
Vapour Phase
Liquid Phase
12
Specific Heat
13
Std. Gas Flow
14
15
Act. Liq. Flow
16
Z Factor
17
Watson K
18
User Property
19
20
Cp/(Cp - R)
21
Cp/Cv
22
Heat of Vap.
23
Kinematic Viscosity
24
25
26
Liquid Fraction
27
Molar Volume
28
Mass Heat of Vap.
29
30
Surface Tension
31
32
Viscosity
33
Cv (Semi-Ideal)
34
35
Cv
36
Mass Cv
37
Cv (Ent. Method)
38
39
Cp/Cv (Ent. Method)
40
Reid VP at 37.8 C
(kPa)
41
True VP at 37.8 C
(kPa)
5763
2357
5763
42
0.0000
0.0000
0.0000
43
Viscosity Index
---
---
---
(kJ/kgmole-C)
136.3
160.4
136.3
(STD_m3/h)
0.0000
0.0000
0.0000
(kg/m3)
442.7
652.1
442.7
(m3/s)
0.0000
---
0.0000
(kPa)
---
1.000
2.402e-003
16.37
12.25
16.37
---
---
---
0.0000
---
---
1.065
1.055
1.065
1.065
1.065
1.055
(kJ/kgmole)
2.695e+004
---
---
(cSt)
8.385e-002
3.427
8.385e-002
(kg/m3)
498.5
705.0
498.5
(m3/h)
0.0000
0.0000
0.0000
1.000
0.0000
1.000
(m3/kgmole)
1.800e-002
7.493
1.800e-002
(kJ/kg)
719.3
---
---
0.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
5.484e-002
8.161e-002
5.484e-002
(cP)
0.1745
2.480e-002
0.1745
(kJ/kgmole-C)
127.9
152.1
127.9
(kJ/kg-C)
3.415
2.804
3.415
(kJ/kgmole-C)
127.9
152.1
127.9
(kJ/kg-C)
3.415
2.804
3.415
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
4931
1468
4931
44
COMPOSITION
45
46
Overall Phase
47
48
Fluid Package:
COMPONENTS
49
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Vapour Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
50
DitBPeroxide
0.0000
0.0208
0.0000
0.0812
0.0000
0.0450
51
Acetone
0.0000
0.1778
0.0000
0.2756
0.0000
0.1545
52
Ethane
0.0000
0.8014
0.0000
0.6431
0.0000
0.8005
53
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
54
Vapour Phase
55
56
COMPONENTS
57
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
0.0000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
58
DitBPeroxide
0.0000
0.0562
0.0000
0.1516
0.0000
0.1238
59
Acetone
0.0000
0.6292
0.0000
0.6740
0.0000
0.5563
60
Ethane
0.0000
0.3146
0.0000
0.1745
0.0000
0.3199
61
Total
0.0000
1.0000
0.0000
1.0000
0.0000
1.0000
62
Liquid Phase
63
64
COMPONENTS
65
MOLAR FLOW
(kgmole/h)
MOLE FRACTION
MASS FLOW
(kg/h)
Phase Fraction
1.000
MASS FRACTION
LIQUID VOLUME
FLOW (m3/h)
LIQUID VOLUME
FRACTION
66
DitBPeroxide
0.0000
0.0208
0.0000
0.0812
0.0000
0.0450
67
Acetone
0.0000
0.1778
0.0000
0.2756
0.0000
0.1545
68
Ethane
0.0000
0.8014
0.0000
0.6431
0.0000
69

0.8005
Page 5 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
7
8
9
Basis-1
Property Package:
UNIQUAC - Ideal
COMPOSITION
10
11
12
13
Fluid Package:
Total
0.0000
1.0000
Phase Fraction
0.0000
1.0000
1.000
0.0000
1.0000
14
15
16
17
CONNECTIONS
18
19
20
Stream Name
21
22
From Unit Operation
feed
23
24
Stream Name
25
26
27
To Unit Operation
vap
liq
28
PARAMETERS
29
30
Physical Parameters
31
Delta P
Vessel Volume
32
0.0000 kPa
1.034 m3
33
Duty
*
Energy Stream
0.0000 kJ/h
User Variables
34
35
REACTION DETAILS
36
Reaction:
37
38
Component
Rxn-1
Mole Weight
39
DitBPeroxide
146.2
-1 *
40
Acetone
58.08
2*
41
Ethane
30.07
1*
42
43
44
45
Set-1
Extents
46
47
Act. % Conv.
48
Rxn-1
Base Comp.
100.0
49
Rxn Extent
DitBPeroxide
0.1768
Balance
50
51
Total Inflow
Total Rxn
Total Outflow
52
53
DitBPeroxide
4.167e-003
-3.535e-003
6.315e-004
54
Acetone
0.0000
7.070e-003
7.070e-003
55
Ethane
0.0000
3.535e-003
3.535e-003
56
RATING
57
58
Sizing
59
60
61
Cylinder
Volume
Vertical
1.034 m3 *
Diameter
62
No
Height
1.436
Nozzles
63
64
Reactor has a Boot:

0.9574 m
0.0000 m *
65
Diameter
0.9574 m
Height
1.436
feed
vap
liq
66
Diameter
(m)
7.181e-002
7.181e-002
7.181e-002
67
Elevation (Base)
(m)
0.7181
1.436
0.0000
68
Elevation (Ground)
(m)
0.7181
1.436
0.0000
69

Page 6 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
6
7
8
9
(%)
50.00
10
100.00
0.00
CONDITIONS
11
12
Name
13
Vapour
14
Temperature
15
Pressure
16
Molar Flow
(kgmole/h)
17
Mass Flow
(kg/h)
18
19
Molar Enthalpy
20
Molar Entropy
21
Heat Flow
feed
liq
vap
1.0000
0.0000
1.0000
(C)
217.0000 *
639.9853
639.9853
(kPa)
1013.2500 *
1013.2500
1013.2500
15.0000 *
0.0000
40.4531
0.0000
2193.4465
2193.4351
(m3/h)
2.7467
0.0000
3.3635
(kJ/kgmole)
-2.882e+005
-5.460e+004
-1.068e+005
(kJ/kgmole-C)
473.8
349.7
315.2
(kJ/h)
-4.3223e+06
-0.0000e-01
-4.3223e+06
22
PROPERTIES
23
24
Name
25
Molecular Weight
26
Molar Density
27
Mass Density
28
Act. Volume Flow
29
Mass Enthalpy
30
31
32
Mass Heat Capacity
33
feed
liq
vap
146.2
37.47
54.22
(kgmole/m3)
0.2486
55.56
0.1335
(kg/m3)
36.36
2082
7.237
(m3/h)
60.33
0.0000
303.1
(kJ/kg)
-1971
-1457
-1971
Mass Entropy
(kJ/kg-C)
3.240
9.334
5.814
Heat Capacity
(kJ/kgmole-C)
322.8
136.3
160.4
(kJ/kg-C)
2.207
3.637
2.958
(kJ/kgmole)
4.940e+006
1.543e+006
1.771e+006
34
(kJ/kgmole)
5.309e+006
1.671e+006
1.908e+006
35
(kJ/kg)
3.631e+004
4.459e+004
3.519e+004
36
CO2 Loading
---
---
---
37
---
---
---
38
(kgmol/kg)
---
---
---
39
(kJ/kg)
3.378e+004
4.117e+004
3.266e+004
40
1.000
---
1.000
41
1.000
0.0000
1.000
42
1.000
---
1.000
43
Mass Exergy
(kJ/kg)
125.7
614.0
779.4
44
(kPa)
0.0000
0.0000
0.0000
45
Cost Based on Flow
(Cost/s)
0.0000
0.0000
0.0000
46
Act. Gas Flow
(ACT_m3/h)
60.33
---
303.1
47
Avg. Liq. Density
(kgmole/m3)
5.461
---
12.03
48
Specific Heat
(kJ/kgmole-C)
322.8
136.3
160.4
49
Std. Gas Flow
(STD_m3/h)
354.7
0.0000
956.5
50
(kg/m3)
798.6
442.7
652.1
51
Act. Liq. Flow
(m3/s)
---
0.0000
---
52
Z Factor
1.000
---
---
53
Watson K
11.05
16.37
12.25
54
User Property
55
56
57
58
Heat of Vap.
59
Kinematic Viscosity
60
61
62
Liquid Fraction
63
Molar Volume
64
Mass Heat of Vap.
65
66
Surface Tension
67
68
Viscosity
69
---
---
---
0.0000
0.0000
0.0000
Cp/(Cp - R)
1.026
1.065
1.055
Cp/Cv
1.026
1.065
1.055
(kJ/kgmole)
2.538e+004
2.695e+004
4.021e+004
(kPa)
(cSt)
0.3050
8.385e-002
3.427
(kg/m3)
799.2
498.5
705.0
(m3/h)
2.745
0.0000
3.111
0.0000
1.000
0.0000
(m3/kgmole)
4.022
1.800e-002
7.493
(kJ/kg)
173.5
719.3
741.7
1.0000
0.0000
1.0000
(dyne/cm)
---
---
---
(W/m-K)
2.754e-002
5.484e-002
8.161e-002
(cP)
1.109e-002
0.1745
2.480e-002
Page 7 of 8
1
2
LEGENDS
Burlington, MA
USA
3
4
5
Case Name:
Unit Set:
SI
Date/Time:
Thu Dec 10 02:24:55 2015
7
8
9
PROPERTIES
10
11
Name
12
Cv (Semi-Ideal)
13
14
Cv
15
Mass Cv
16
Cv (Ent. Method)
17
18
Cp/Cv (Ent. Method)
19
Reid VP at 37.8 C
20
True VP at 37.8 C
21
22
Viscosity Index
feed
liq
314.5
127.9
152.1
(kJ/kg-C)
2.151
3.415
2.804
(kJ/kgmole-C)
314.5
127.9
152.1
(kJ/kg-C)
2.151
3.415
2.804
(kJ/kgmole-C)
---
---
---
(kJ/kg-C)
---
---
---
---
---
---
(kPa)
6.453
4931
1468
(kPa)
6.453
5763
2357
2.745
0.0000
3.111
-14.19
---
---
23
DYNAMICS
24
25
26
27
Vessel Volume
28
Vessel Diameter
29
30
1.034 *
(m3)
(m)
0.9574
Vessel Height
(m)
1.436
(%)
1.00 *
31
Level Calculator
Vertical cylinder
Fraction Calculator
Feed Delta P
(kPa)
0.0000
Vessel Pressure
(kPa)
1013
32
33
vap
(kJ/kgmole-C)
Phase
Level
(m)
Percent
(%)
Volume
(m3)
35
Vapour
---
---
0.0000
36
Liquid
---
---
0.0000
37
Aqueous
---
---
0.0000
Volume
(m3)
34
38
Holdup: Details
39
40
Phase
Accumulation
(kgmole/h)
Moles
(kgmole)
42
Vapour
0.0000
0.0000
0.0000
43
Liquid
0.0000
0.0000
0.0000
44
Aqueous
0.0000
0.0000
45
Total
0.0000
0.0000
41
46
0.0000
0.0000
NOTES
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69

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UNIVERSIDADE FEDERAL DE SO JOO DEL REI

CAMPUS ALTO PARAOPEBA

Adriano de Ulha Torres

Atividade final de clculo de reatores.

A decomposio trmica do DTBP (Di-tert-butyl peroxide) um fenmeno

Como se percebe na equao, o DTBP se decompe termicamente para formar

Segundo a literatura, a reao tratada em fase gasosa (CAFERRATA, 2001).

Para efeito de clculos, tem-se que obter constantes termodinmicas

*Calculado a partir dos grficos fornecidos.

Esses valores foram obtidos a partir da ferramenta Aspen Properties V8. Os

FIGURA 1 Entalpia da acetona pura sobre presso

FIGURA 2 Entalpia da DTBP pura sobre presso

FIGURA 2 Entalpia da etano pura sobre presso

Como se v nos grficos, de forma geral, a entalpia se mostra linear dentro do

Os valores obtidos esto dispostos na TABELA 1.

CAPACIDADE CALORFICA MDIA DA REAO

De posse dos () individuais pode-se, ento, calcular o para reao. Ele

COEFICIENTE DE VARIAO DE VOLUME

O processo se passa em fase gasosa e acontece nesse sistema uma variao

O volume do reator uma varivel livre. Ou seja, pode-se atribuir volume ao

TEMPO ESPACIAL DO SISTEMA

Determina-se o tempo espacial para esse sistema

O balao de massa fica ento

ENCONTRO DAS CURVAS

FIGURA 3 Curvas de converso em funo da temperatura a partir do

A temperatura encontrada fora uma sada de 610,1 e converso de 100,0%.

Para se avaliar os efeitos da entrada sobre o sistema, se aumentou a vazo de

FIGURA 4 Curvas de converso em funo da temperatura a partir do

A temperatura prevista teoricamente 290,1 e converso de 23,76%. O

Para um reator de camisa, o balano de massa se mantm e o balao de energia

A rea de troca a rea externa ao reator correspondente ao dimetro 0,9574

O fluxo molar dado

O fluido resfriaste gua a 16.

Por uma questo de ordem nos nmeros no balao do denominador e numerador da

O U disponvel para esse problema

(372,4164)(453 ) [1 102 ( 289)]

FIGURA 5 Curvas de converso em funo da temperatura a partir do

Como se v na figura 2 a temperatura de sada 490,1.

Faz-se uma anlise dos efeitos da vazo de entrada na converso e temperatura

FIGURA 6 Sistema no HYSYS

TABELA 2 Configurao do simulador

TABELA 3 Teste de vazo

Como se v, quanto maior a vazo menor a temperatura no geral. A mesma

Para a anlise de custo, se estipula que o mesmo sistema isotrmico. O

A vazo mssica na sada 21,93 1

A lucratividade desse sistema por hora ento

Foi simulado um sistema de 2,5 mol/min de feed puro de DTBP a uma

demonstrou-se lucrativa com taxa de lucro igual a = 206,6281 $ . Em anexo, tem-se

Caferrata, Lzaro F.R; Manzione, Carlos J. Kinetics and Mechanism of Gas-Phase

Script de clculos no Matlab.

close all; clear all; clc

c=[372.4164 124.0182 90.1985];

UFSJ - Reatores - TBc.hsc

Thu Dec 10 02:26:25 2015

Material Stream: feed

Vapour / Phase Fraction

Std Ideal Liq Vol Flow

Liq Vol Flow @Std Cond

Act. Volume Flow

Mass Heat Capacity

LHV Molar Basis (Std)

HHV Molar Basis (Std)

HHV Mass Basis (Std)