化工过程模拟和优化 课程设计 苯加氢合成环己烷过程设计

化工过程模拟和优化 课程设计 苯加氢合成环己烷过程设计 ****** 华南理工大学2000级博士研究生学位课程 ****** 苯加氢合成环己烷过程设计 苯加氢合成环己烷过程设计 化学工程 钱 宇、 陆恩锡 ：张旭东、陈 颖、郭平生 二零零一年五月十八日 目 录 1 概述 ………………………………………………………………………………………………3 1.1 设计任务 ………………………………………………………………………………………3 1.2 生产方式的选择 ………………………………………………………………………………3 1.3 工艺流程方块图 ………………………………………………………………………………3 1.4 原料质量要求与产品规格 ……………………………………………………………………4 2 工艺流程 …………………………………………………………………………………………4 2.1工艺流程图 ……………………………………………………………………………………4 2.2 流程叙述 ………………………………………………………………………………………4 2.3 流程特点 ………………………………………………………………………………………5 3 反应系统 …………………………………………………………………………………………5 3.1 反应方程式 ……………………………………………………………………………………5 3.2 反应器型式 ……………………………………………………………………………………5 3.3 反应条件 …………………………………………………………………………………5 3.4 产量与进料 ……………………………………………………………………………6 3.5催化剂 …………………………………………………………………………………6 3.6 反应系统物料衡算 ……………………………………………………………………6 4 分离系统 …………………………………………………………………………………7 4.1 分离次序原则 …………………………………………………………………………7 4.2 分离 方案 气瓶 现场处置方案 .pdf气瓶 现场处置方案 .doc见习基地管理方案.doc关于群访事件的化解方案建筑工地扬尘治理专项方案下载 ………………………………………………………………………………8 4.3 分离条件的确定 ………………………………………………………………………8 4.4 分离系统的物料衡算 …………………………………………………………………8 5 能量衡算 …………………………………………………………………………………9 5.1 能量衡算结果 …………………………………………………………………………9 5.2 能量衡算分析与讨论 …………………………………………………………………9 6 参考文献 …………………………………………………………………………………10 7 附录 ………………………………………………………………………………………10 7.1 Aspen 计算流程图 ………………………………………………………………………10 7.2 Aspen 输入输出文件 ………………………………………………………………………10 2 项目名称：环己烷生产过程设计 产品名称：环己烷 产品规格：纯度99.9% 生产能力：47700吨/年（与50000吨/年己内酰胺厂配套） 产品用途：环己烷是用于生产环己醇、环己酮和己二酸的原料，也可用作有机溶剂等。环己 酮进一步生产己内酰胺、聚酰胺6纤维（尼龙6）。尼龙6具有广泛用途，民用：可纯纺和混纺 作衣料、针织品、地毯等；工业：作轮胎的帘子线、帐篷、绳索、降落伞等。 工业上生产环己烷有石油馏分分离法和苯加氢法两种。 1.2.1 石油馏分分离法 原油中一般含有0.5~1%的环己烷，而粗汽油中约含有5~15%。将以环己烷为基本组分的汽 油进行分离，分出65.6~85.3?馏分，其中主要含环己烷及甲基环戊烷，然后在80?，用三氯化铝作催化剂进行处理，此时甲基环戊烷异构化为环己烷. 异构化后的产物，再经过蒸馏、高 温裂解（除去烷烃）、溶剂处理（除去芳烃和烯烃）等一系列操作，最后可得到纯度为95%以上的环己烷。 1.2.2 苯加氢法 以镍为催化剂，于150~250?和23~53大气压，苯加氢生成环己烷： ,150~250,23~53.Ni:CatmCH，3H,,,,,,,,,,CH 662612 利用此法生产环己烷产率接近100%，且产品纯度很高，是目前生产环己烷的主要方法。 本设计采用此法。 由反应系统和分离系统两大部分组成： 尾气（H2,N2,CH4) （H2,N2,CH4) 氢气 反应分离环己烷 系统系统 苯 3 1.4.1 原料质量要求 - 氢气： HO<50ppm CO<10ppm CO<10ppm S<0.2ppm Cl<0.1ppm 22-苯： HO<50ppm CO<10ppm O<10ppm S+CL<1ppm 22 1.4.2 产品环己烷技术规格 3比重（20?）0.778~0.779g/cm; 颜色 10（7%---CO标度）; 馏程 80.0~81.0?; 芳烃含量0.1 （wt%）; 非挥发物 ?10mg/kg; 凝固点 ?6.0?; 总硫 ?2mg/kg; 环烷烃 ?1000mg/kg; 甲基环己烷 ?300； 正烷烃(C7或C7以上) ?50mg/kg 本设计以法国IFP工艺为基础，是工业生产的实际工艺，工艺流程图如下： (12)(5) 12尾气(17)(18)2 (13)(11)7蒸汽(3)氢气13(1)32 (25)低温水(20)(19) (27) (6)9 (22)循环水(21)61011(9)(14)(26)(4)(24)(15)8(23)5(8)锅炉给水(7) (2) (10)(16)苯41环己烷 1.苯进料泵 2.氢气压缩机 3.主反应器 4.环己烷循环泵 5.锅炉给水换热器 6.汽包 7.后反应器 8.锅炉给水预热器 9.中温冷却器 10.第一分离器 11.第二分离器 12.尾气换热器 13.低温冷却器 氢气进压缩机压缩后进入主反应器，原料苯经进料泵加压后由氢气进料口的上方进入主反 应器。本加氢反应是强烈的放热反应，放出的热量用于加热反应物料、蒸发环己烷产品和产生 低压蒸汽供本装置使用。主反应器是鼓泡式反应器，反应物料与催化剂由其底部经环己烷循环 泵送入锅炉给水换热器进行强制循环。苯在主反应器中转化率可达95%以上。主反应器蒸发出的气体混合物进入后反应器（固定床），剩余部分在此全部转化。 由外界来的锅炉给水经锅炉给水预热器预热后进入汽包，在进入锅炉给水换热器中，与主 反应器的循环物料进行热交换。锅炉给水以热虹吸方式进行循环、汽化，汽化混合物在汽包中 分离后，蒸汽送至管网作为后续系统的热源。 4 从后反应器出来的气体混合物经锅炉给水预热器降温后，进入中温冷却器冷却冷凝，然后 去第一分离器进行分离。其中气相中未被冷凝的环己烷、氢气及其它惰性气体进入尾气换热器 冷却到40?后再进入低温冷却器，用低温冷却水进一步冷却冷凝到8?，然后再第二分离器中气液再次分离，液相部分回流至第一分离器，气相部分作为冷剂进入尾气换热器，换热后排至 燃料气管网。第一分离器中被冷凝的环己烷为本系统的产品。 3.2.1 由于本流程采用均相催化剂。它与传统的液相法苯加氢采用的非均相催化剂（雷尼镍）相 比有如下优点： （1）均相催化剂不自燃。彻底排除了雷尼镍（自燃）给生产带来的不安全因素。确保了安全生 产。这是均相催化剂最突出的优点。 （2）均相催化剂为液相。可用计量泵连续地将催化剂注入主反应器。可根据苯的进料量和原料 中的杂质含量。随时间调整催化剂的进料速度。操作灵活又方便。 （3）由于催化剂为液相。对环已烷循环泵磨损大大减少。因此使泵的维修工作量显著减少（由 每月维修一次减少至少每年维修一次）。 （4）由于去掉雷尼镍的加入系统。减少了部份设备。节省了投资。 （5）使用雷尼镍时。装置从停车到开车至少需48小时。而使用均相催化剂时。则只需8小时， 这样装置每年可多运转150小时以上，即多产1000吨环已烷。 （6）装置因故停车时。不必将反应液全部排除。催化剂不会损失。 3.2.2 本设计充分利用反应放出的热量生产低压蒸汽。此蒸汽作为脱庚烷塔再沸器的热源。同 时又用此蒸气冷凝液加热脱庚烷塔的入料——环已烷。从而使低位能得到了充分利用。 5+ 3H2+ 2.135 x 10KJ/Kmol 这是一个体积缩小和产生大量热的平衡反应。因此，低温、高压有利于生成环己烷。 反应在两串联的反应器(主反应器和后反应器)中进行。主反应器为鼓泡床反应器，有利于 利用均相催化剂进行液相苯加氢反应；后反应器为固定床反应器，有利于利用LD143催化剂进 行气相苯加氢反应。由于为强放热反应，反应器形式的选择应考虑有利于散热。 ： 氢/苯（分子比）：3.46, 氢气过量以使苯100%转化为环己烷; 主反应器温度：180~200?； 主反应器压力：2.68Mpa； 后反应器温度：190~231?; 后反应器压力：2.60Mpa. 5 由产品产量和反应条件确定进料量和进料条件。 该设计为与年产5万吨的己内酰胺厂配套。每吨己内酰胺需原料环己烷954公斤, 年产5万吨己内酰胺需原料环己烷 4.77万吨，年生产8000小时，每小时产环己烷5.9625吨，环己烷分子量84.16, 所以要求生产环己烷70.85 kmol/h. 考虑到损耗，实际生产中： 环己烷产量： 47700吨/年 苯进料量： 71.441 kmol/h 氢气进料量： 氢：247.186 kmol/h，氮：8.282 kmol/h, 甲烷：18.786 kmol/h（氮和甲 烷为原料氢气中所含杂质） 苯进料条件： 3500Kpa, 40 ?, 液相 氢气进料条件：2910Kpa, 65?,气相 均相催化剂(Zieglar-Natta金属络合物)： 外观 黑色均匀液体； 含镍量%（wt）? 1.6; 转化率%(10小时)?99.5; 选择性%（10小时?99.8 LD143催化剂： 外观 球形Ф2~4毫米； 组成 载有镍的高纯度氧化铝; Ni含量 14.35%(wt); 表观密度 0.87g/cm3; 3抗碎强度 10kg; 总孔容 0.45?0.06cm/g; 2比表面 223（210?23）m/g 反应系统物料衡算结果： 分子式 分子量 沸点 密度 (1) ? kg/Nmkmol/h mol% kg/h wt% 3 H2.016 -252.75 0.0898 247.186 90.13 498.33 48.30 2 N28.02 -195.78 1.2507 8.282 3.02 231.98 22.49 2 CH16.03 -161.49 0.7156 18.786 6.85 301.33 29.21 4 CH78.11 80.1 879 66 CH84.16 80.7 779 612 HO 18.02 100 1000 2 HO 18.02 100 0.60 2 合 计 274.254 100.00 1031.64 100.00 3 温度 ? 密度 kg/m状 态 24 3.15 g 压力 MPa 粘度 Pas 1.90 6 （续一） (2) (3) kmol/h mol% kg/h wt% kmol/h mol% kg/h wt% 247.186 90.13 498.33 48.30 8.282 3.02 231.98 22.49 18.786 6.85 301.33 29.21 71.441 100.00 5580.26 100.00 71.441 100.00 5580.26 100.00 274.254 100.00 1031.64 100.00 65 4.16 g 40 857 l 3.5 2.91 （续二） (4) (11) kmol/h mol% kg/h wt% kmol/h mol% kg/h wt% 32.862 25.01 66.25 1.00 8.282 6.30 231.98 3.51 18.786 14.30 301.33 4.56 71.441 100.00 5580.26 100.00 71.441 54.38 6012.47 90.93 71.441 100.00 5580.26 100.00 131.371 100.00 6612.03 100.00 l 60 11.64/741 g/l 2.47 反应产物中还存在未反应的氢、氮、甲烷和一些轻组分、重组分杂质，必须将其从产物流中分 离出来。理论上分离次序的确定依据下述原则： 1、流量最大的组分先分离。 2、轻组分先分离。 3、分离困难的组分最后分离。 4、等摩尔分割优先。 7 由前面所给的进料条件和反应条件可以计算得出反应器的出口物流组成.下表列出了主要反 应产物的流量和沸点。 反应产物的流量和沸点 组分 氢 氮 甲烷 环己烷 32.862 8.282 18.786 71.441 流量（kmol/h） -252.8 -195.8 -161.5 80.7 沸点（?） 由表可知，氢、氮和甲烷的沸点和环己烷相差很大，应该最先分离；然后除轻组分杂质， 最后除重组分杂质。所以可选择的分离方案流程如下： 氢气 轻组分 环己烷氮气 杂质甲烷脱脱 轻重闪 反应物料组组蒸分分 塔塔 重组分杂质 4.3 为了提高环己烷的收率，实际工艺中闪蒸分两级进行，第二级采用低温 根据反应产物各组分浓度和沸点，脱轻组分塔和脱重组分塔采用常压操作，泡点进料。冷 凝分离器采用低温水作冷凝剂。根据分离精度要求，用Apsen可以得到塔板数，塔内温度和压 力分布，回流比，塔顶和塔底产品流率，塔顶冷凝器和塔底再沸器的热负荷。 4.4 分子分子量 沸点 密度 分离系统进料 式 物流 （11） 3 ? kg/Nmkmol/h mol% kg/h wt% H-252.75 2.016 0.0898 32.862 25.01 66.25 1.00 2 N-195.78 28.02 1.2507 8.282 6.30 231.98 3.51 2 CH-161.49 16.03 0.7156 18.786 14.30 301.33 4.56 4 CH78.11 80.1 879 66 C6012.47 H84.16 80.7 779 71.447 54.38 90.93 612 合 计 131.371 100.00 6612.03 100.00 3 温度 ? 密度kg/m状 态 60 11.64/741 g/l 压力 MPa 粘度 Pas 2.47 8 分离系统出料 分离系统出料 物流 (18) 物流（16） 物流 (18) 物流（16） kmol/h mol% kg/h wt% kmol/h mol% kg/h wt% kmol/h mol% kg/h wt% kmol/h mol% kg/h wt% 32.862 54.64 66.25 10.72 0.539 0.75 1.09 0.02 32.862 54.64 66.25 10.72 0.539 0.75 1.09 0.02 8.282 13.77 231.98 37.54 8.282 13.77 231.98 37.54 18.786 31.23 301.33 48.76 0.458 0.63 7.35 0.12 18.786 31.23 301.33 48.76 0.458 0.63 7.35 0.12 0.219 0.36 18.44 2.98 71.225 98.62 5944.3 99.86 0.219 0.36 18.44 2.98 71.225 98.62 5944.3 99.86 60.149 100.00 618.00 100.00 72.222 100.00 6002.74 100.00 60.149 100.00 618.00 100.00 72.222 100.00 6002.74 100.00 25 g 59 830 l 25 g 59 830 l 2.47 2.47 _设备名称 热负荷 热 损失 输入电能 苯进料泵 ０－１６２０ 氢气压缩机 ０－７１２６ 主反应器 １０－６６００ 环己烷循环泵 ０－１０８０ 锅炉给水换热器 １０－６６００ 汽包 １０－６６００ ０－３９２３ １０－４３％ 后反应器 锅炉给水预热器 １－１９３２ 中温冷却器 ３－２２３８ ３－２２３８ ８５－７４％ 第一分离器 第二分离器 尾气换热器 ０－０５９５ ０－０５９ ５１－５８％ 低温冷却器 ０－０８４６ ０－０８４ ６２－２５％ 合计 ３－７１０３ １００％ ０－９８２ 能量平衡结果，忽略散热损失时，主反应器没有能量损失；而有效能分析结果表明，主反 应器有效能损失为６－７５％，占较高比例。分析其损失的原因有： ? 由内部的化学反应不可逆性所引起，化学过程中化学能转化为热能，使能量的质量 降低，造成有效能损失。这是热化学反应所固有的损失，目前的技术尚无法使之减 9 少。 ? 由鼓泡式反应器内液相物料及催化剂通过环己烷循环泵，经锅炉给水换热器冷却后， 再循环进入反应器这一过程而引起，这部分损失所占比例较小，无需在这方面采取 过多措施来节能。 能量平衡结果，中温冷却器热损失最大，占全系统的８５－７４％，忽略散热损失时，锅 炉给水换热器热损失为零。但由有效能衡算结果表明，两者有效能损失之和占全系统有效能损 失的１２－１８％。这是由于传热过程中冷热两流体间的温差较大而引起的，可通过缩小温差 来减少有效能损失。 此外，电动设备由于大马拉小车，也造成一些损失，可通过更换机泵的电机等措施减少这 部分损失；后反应器由于散热及内部化学反应不可逆性等原因，也损失了部分有效能，其比例 不高，可通过加强保温等措施减少这部分损失。 能量平衡结果，尾气换热器热量损失仅占全系统的１－５８％；而由有效能衡算结果表明， 其有效能损失占全系统的７６－５０％，这主要是由尾气排空引起的。尾气中少量的苯和环己 烷随尾气排空的损失，不仅使加氢系统的收率降低，而且由于其化学有效能很大（见表３），它 们的损失导致有效能损失也较大。因此，减少尾气排空量及降低尾气中环己烷含量均可减少这 一损失。 减少尾气排空量是降低有效能损失最主要的途径。采用较高纯度的氢气，可以减少尾气 排空量；在保证产品合格的前提下尽量降低氢苯比，也可以减少尾气排空量。理论上，氢气纯 度为１００％，氢苯分子比为３?１（等于化合比）时，尾气排空量为零，此时，这部分有效 能损失为零。本系统采用氢苯比为３。４６?１，这个比例较高，因此有效能损失较大。由此 可知，严格控制小的氢苯比对于节能是必要的。鉴此，开发、使用高选择性的优质苯加氢催化 剂，使反应在氢苯比接近化合比的条件下生产，可以尽量减少有效能损失。 采用较高的加氢系统压力，或尽量降低低温冷却器出口冷凝液的温度，均可降低尾气中 苯和环己烷含量，从而减少尾气排空的有效能损失。 排空的尾气中含大量氢气，可将其排入燃料气管网用作它用（工厂现已用于分子筛再生 系统），这样可回收部分有效能，从而达到节能的目的。 [1]〔美〕道格拉斯 著，将楚生、夏平译，，化学工业出版社，北京，1994 [2] Richard Turton etc. Analysis, synthesis and Design of Chemical Process [3] 王静康 化学工业出版社，1995 [4] 杨平辉、曾令平， 苯加氢合成环己烷系统有效能分析 ， 1999，9（3） 10 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE I CYCLHEXANE SYNTHESIS ASPEN PLUS (R) IS A PROPRIETARY PRODUCT OF ASPEN TECHNOLOGY, INC. (ASPENTECH), AND MAY BE USED ONLY UNDER AGREEMENT WITH ASPENTECH. RESTRICTED RIGHTS LEGEND: USE, REPRODUCTION, OR DISCLOSURE BY THE U.S. GOVERNMENT IS SUBJECT TO RESTRICTIONS SET FORTH IN (i) FAR 52.227-14, Alt. III, (ii) FAR 52.227-19, (iii) DFARS 252.227-7013(c)(1)(ii), or (iv) THE ACCOMPANYING LICENSE AGREEMENT, AS APPLICABLE. FOR PURPOSES OF THE FAR, THIS SOFTWARE SHALL BE DEEMED TO BE "UNPUBLISHED" AND LICENSED WITH DISCLOSURE PROHIBITIONS. CONTRACTOR/SUBCONTRACTOR: ASPEN TECHNOLOGY, INC. TEN CANAL PARK, CAMBRIDGE, MA 02141. TABLE OF CONTENTS RUN CONTROL SECTION.................................... 1 RUN CONTROL INFORMATION........................... 1 FLOWSHEET SECTION...................................... 2 FLOWSHEET CONNECTIVITY BY STREAMS................. 2 FLOWSHEET CONNECTIVITY BY BLOCKS.................. 2 CONVERGENCE STATUS SUMMARY........................ 2 CONVERGENCE BLOCK: $OLVER01...................... 2 COMPUTATIONAL SEQUENCE............................ 3 OVERALL FLOWSHEET BALANCE......................... 3 PHYSICAL PROPERTIES SECTION............................ 5 COMPONENTS........................................ 5 U-O-S BLOCK SECTION.................................... 6 11 BLOCK: COMP MODEL: COMPR..................... 6 BLOCK: COOL-1 MODEL: HEATER.................... 7 BLOCK: COOL-2 MODEL: HEATER.................... 8 BLOCK: EX-1 MODEL: HEATER.................... 9 BLOCK: EX-2 MODEL: HEATX..................... 10 BLOCK: PUMP1 MODEL: PUMP...................... 12 BLOCK: REACTOR1 MODEL: RSTOIC.................... 13 BLOCK: REACTOR2 MODEL: RSTOIC.................... 15 BLOCK: SEP-1 MODEL: FLASH2.................... 16 BLOCK: SEP-2 MODEL: FLASH2.................... 17 STREAM SECTION......................................... 19 1 10 11 12 13..................................... 19 14 15 2 3 4....................................... 21 5 6 7 8 9......................................... 23 PROBLEM STATUS SECTION................................. 25 BLOCK STATUS...................................... 25 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 1 CYCLHEXANE SYNTHESIS RUN CONTROL SECTION RUN CONTROL INFORMATION ----------------------- THIS COPY OF ASPEN PLUS LICENSED TO GUANGDONG ENGINEERING EQUIP. TYPE OF RUN: NEW INPUT FILE NAME: _1930qmi.inm OUTPUT PROBLEM DATA FILE NAME: _1930qmi VERSION NO. 1 LOCATED IN: PDF SIZE USED FOR INPUT TRANSLATION: NUMBER OF FILE RECORDS (PSIZE) = 0 NUMBER OF IN-CORE RECORDS = 256 PSIZE NEEDED FOR SIMULATION = 256 CALLING PROGRAM NAME: apmain 12 LOCATED IN: D:\ASPENT~1\AP100\xeq SIMULATION REQUESTED FOR ENTIRE FLOWSHEET ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 2 CYCLHEXANE SYNTHESIS FLOWSHEET SECTION FLOWSHEET CONNECTIVITY BY STREAMS --------------------------------- STREAM SOURCE DEST STREAM SOURCE DEST 1 ---- PUMP1 3 ---- COMP 2 PUMP1 REACTOR1 4 COMP REACTOR1 6 REACTOR1 REACTOR2 5 REACTOR2 EX-1 7 EX-1 COOL-1 8 COOL-1 SEP-1 9 SEP-1 EX-2 10 SEP-1 ---- 14 SEP-2 EX-2 11 SEP-2 SEP-1 12 EX-2 COOL-2 15 EX-2 ---- 13 COOL-2 SEP-2 FLOWSHEET CONNECTIVITY BY BLOCKS -------------------------------- BLOCK INLETS OUTLETS PUMP1 1 2 COMP 3 4 REACTOR1 4 2 6 REACTOR2 6 5 EX-1 5 7 COOL-1 7 8 SEP-1 8 11 9 10 SEP-2 13 14 11 EX-2 9 14 12 15 COOL-2 12 13 CONVERGENCE STATUS SUMMARY -------------------------- TEAR STREAM SUMMARY =================== STREAM MAXIMUM MAXIMUM VARIABLE CONV ID ERROR TOLERANCE ERR/TOL ID STAT BLOCK 13 ------ ------- --------- -------- -------- ---- ----- 12 0.10130E-07 0.41351E-07 0.24498 CYCLO-01MOLEFLOW # $OLVER01 # = CONVERGED * = NOT CONVERGED CONVERGENCE BLOCK: $OLVER01 ---------------------------- Tear Stream : 12 Tolerance used: 0.100D-03 Trace molefrac: 0.100D-05 MAXIT= 30 WAIT 1 ITERATIONS BEFORE ACCELERATING QMAX = 0.00E+00 QMIN = -5.0 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 3 CYCLHEXANE SYNTHESIS FLOWSHEET SECTION CONVERGENCE BLOCK: $OLVER01 (CONTINUED) METHOD: WEGSTEIN STATUS: CONVERGED TOTAL NUMBER OF ITERATIONS: 6 NUMBER OF ITERATIONS ON LAST OUTER LOOP: 1 *** FINAL VALUES *** VARIABLE VALUE PREV VALUE ERR/TOL TOTAL MOLEFLOW KMOL/HR 0.5914884D+02 0.5914884D+02 0.4968348D-03 HYDRO-01MOLEFLOW KMOL/HR 0.3241710D+02 0.3241709D+02 0.3623822D-02 NITRO-01MOLEFLOW KMOL/HR 0.7988842D+01 0.7988836D+01 0.7201265D-02 METHA-01MOLEFLOW KMOL/HR 0.1725430D+02 0.1725428D+02 0.1269655D-01 BENZE-01MOLEFLOW KMOL/HR 0.0000000D+00 0.0000000D+00 0.0000000D+00 CYCLO-01MOLEFLOW KMOL/HR 0.1488596D+01 0.1488632D+01 -.2449806D+00 WATER MOLEFLOW KMOL/HR 0.0000000D+00 0.0000000D+00 0.0000000D+00 PRESSURE KPA 0.2470000D+04 0.2470000D+04 0.0000000D+00 MASS ENTHALPY J/KG -.2124702D+07 -.2124700D+07 -.9539686D-02 *** ITERATION HISTORY *** TEAR STREAMS: ITERATION MAX-ERR/TOL STREAM ID VARIABLE --------- ----------- --------- -------- 1 -0.2450 12 CYCLO-01MOLEFLOW 14 COMPUTATIONAL SEQUENCE ---------------------- SEQUENCE USED WAS: COMP PUMP1 REACTOR1 REACTOR2 EX-1 COOL-1 $OLVER01 COOL-2 SEP-2 SEP-1 EX-2 (RETURN $OLVER01) OVERALL FLOWSHEET BALANCE ------------------------- *** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 247.186 32.8630 -214.323 0.475244E-07 NITRO-01 8.28200 8.28199 0.000000E+00 0.694636E-06 METHA-01 18.7860 18.7860 0.000000E+00 0.116613E-05 BENZE-01 71.4410 0.000000E+00 -71.4410 0.000000E+00 CYCLO-01 0.000000E+00 71.4410 71.4410 -0.510471E-06 WATER 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 4 CYCLHEXANE SYNTHESIS FLOWSHEET SECTION OVERALL FLOWSHEET BALANCE (CONTINUED) TOTAL BALANCE MOLE(KMOL/HR ) 345.695 131.372 -214.323 0.850090E-08 MASS(KG/HR ) 6612.20 6612.20 -0.383073E-06 ENTHALPY(WATT ) 640315. -0.335836E+07 1.19066 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 5 CYCLHEXANE SYNTHESIS PHYSICAL PROPERTIES SECTION COMPONENTS ---------- ID TYPE FORMULA NAME OR ALIAS REPORT NAME HYDRO-01 C H2 H2 HYDRO-01 NITRO-01 C N2 N2 NITRO-01 METHA-01 C CH4 CH4 METHA-01 BENZE-01 C C6H6 C6H6 BENZE-01 CYCLO-01 C C6H12-1 C6H12-1 CYCLO-01 WATER C H2O H2O WATER 15 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 6 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: COMP MODEL: COMPR ----------------------------- INLET STREAM: 3 OUTLET STREAM: 4 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 247.186 247.186 0.000000E+00 NITRO-01 8.28200 8.28200 0.000000E+00 METHA-01 18.7860 18.7860 0.000000E+00 BENZE-01 0.000000E+00 0.000000E+00 0.000000E+00 CYCLO-01 0.000000E+00 0.000000E+00 0.000000E+00 WATER 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 274.254 274.254 0.000000E+00 MASS(KG/HR ) 1031.68 1031.68 0.000000E+00 ENTHALPY(WATT ) -391070. -271359. -0.306112 *** INPUT DATA *** ISENTROPIC CENTRIFUGAL COMPRESSOR OUTLET PRESSURE KPA 2,910.00 ISENTROPIC EFFICIENCY 0.72000 MECHANICAL EFFICIENCY 1.00000 *** RESULTS *** INDICATED HORSEPOWER REQUIREMENT WATT 119,711. BRAKE HORSEPOWER REQUIREMENT WATT 119,711. NET WORK, WATT -119,711. ISENTROPIC HORSEPOWER REQUIREMENT WATT 86,192.1 CALCULATED OUTLET TEMP C 76.8746 ISENTROPIC TEMPERATURE C 62.1187 EFFICIENCY (POLYTR/ISENTR) USED 0.72000 OUTLET VAPOR FRACTION 1.00000 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 7 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION 16 BLOCK: COMP MODEL: COMPR (CONTINUED) BLOCK: COOL-1 MODEL: HEATER ------------------------------ INLET STREAM: 7 OUTLET STREAM: 8 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 32.8630 32.8630 0.000000E+00 NITRO-01 8.28200 8.28200 0.000000E+00 METHA-01 18.7860 18.7860 0.000000E+00 BENZE-01 0.000000E+00 0.000000E+00 0.000000E+00 CYCLO-01 71.4410 71.4410 0.000000E+00 WATER 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 131.372 131.372 0.000000E+00 MASS(KG/HR ) 6612.20 6612.20 0.000000E+00 ENTHALPY(WATT ) -0.294697E+07 -0.333573E+07 0.116543 *** INPUT DATA *** TWO PHASE TP FLASH SPECIFIED TEMPERATURE C 60.0000 SPECIFIED PRESSURE KPA 2,470.00 MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 *** RESULTS *** OUTLET TEMPERATURE C 60.000 OUTLET PRESSURE KPA 2470.0 HEAT DUTY WATT -0.38876E+06 OUTLET VAPOR FRACTION 0.45048 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 8 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: COOL-1 MODEL: HEATER (CONTINUED) 17 V-L PHASE EQUILIBRIUM : COMP F(I) X(I) Y(I) K(I) HYDRO-01 0.25015 0.61686E-02 0.54778 88.801 NITRO-01 0.63042E-01 0.40621E-02 0.13499 33.231 METHA-01 0.14300 0.21264E-01 0.29150 13.709 CYCLO-01 0.54381 0.96851 0.25731E-01 0.26568E-01 BLOCK: COOL-2 MODEL: HEATER ------------------------------ INLET STREAM: 12 OUTLET STREAM: 13 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 32.4171 32.4171 0.362382E-06 NITRO-01 7.98884 7.98884 0.720126E-06 METHA-01 17.2543 17.2543 0.126965E-05 BENZE-01 0.000000E+00 0.000000E+00 0.000000E+00 CYCLO-01 1.48860 1.48863 -0.244981E-04 WATER 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 59.1488 59.1488 0.496835E-07 MASS(KG/HR ) 691.233 691.236 -0.366439E-05 ENTHALPY(WATT ) -407962. -430597. 0.525669E-01 *** INPUT DATA *** TWO PHASE TP FLASH SPECIFIED TEMPERATURE C 8.00000 SPECIFIED PRESSURE KPA 2,470.00 MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 *** RESULTS *** OUTLET TEMPERATURE C 8.0000 OUTLET PRESSURE KPA 2470.0 HEAT DUTY WATT -22634. OUTLET VAPOR FRACTION 0.97725 18 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 9 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: COOL-2 MODEL: HEATER (CONTINUED) V-L PHASE EQUILIBRIUM : COMP F(I) X(I) Y(I) K(I) HYDRO-01 0.54806 0.48667E-02 0.56071 115.21 NITRO-01 0.13506 0.42695E-02 0.13811 32.348 METHA-01 0.29171 0.27496E-01 0.29786 10.833 CYCLO-01 0.25168E-01 0.96337 0.33234E-02 0.34497E-02 BLOCK: EX-1 MODEL: HEATER ------------------------------ INLET STREAM: 5 OUTLET STREAM: 7 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 32.8630 32.8630 0.000000E+00 NITRO-01 8.28200 8.28200 0.000000E+00 METHA-01 18.7860 18.7860 0.000000E+00 BENZE-01 0.000000E+00 0.000000E+00 0.000000E+00 CYCLO-01 71.4410 71.4410 0.000000E+00 WATER 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 131.372 131.372 0.000000E+00 MASS(KG/HR ) 6612.20 6612.20 0.000000E+00 ENTHALPY(WATT ) -0.215151E+07 -0.294697E+07 0.269926 *** INPUT DATA *** TWO PHASE TP FLASH SPECIFIED TEMPERATURE C 130.000 SPECIFIED PRESSURE KPA 1,900.00 MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 19 *** RESULTS *** OUTLET TEMPERATURE C 130.00 OUTLET PRESSURE KPA 1900.0 HEAT DUTY WATT -0.79546E+06 OUTLET VAPOR FRACTION 0.56917 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 10 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: EX-1 MODEL: HEATER (CONTINUED) V-L PHASE EQUILIBRIUM : COMP F(I) X(I) Y(I) K(I) HYDRO-01 0.25015 0.57369E-02 0.43516 75.857 NITRO-01 0.63042E-01 0.28905E-02 0.10857 37.563 METHA-01 0.14300 0.12526E-01 0.24176 19.301 CYCLO-01 0.54381 0.97885 0.21451 0.21912 BLOCK: EX-2 MODEL: HEATX ----------------------------- HOT SIDE: --------- INLET STREAM: 9 OUTLET STREAM: 12 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE COLD SIDE: ---------- INLET STREAM: 14 OUTLET STREAM: 15 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 64.8276 64.8276 0.000000E+00 NITRO-01 15.9719 15.9719 0.000000E+00 METHA-01 34.4716 34.4716 0.000000E+00 BENZE-01 0.000000E+00 0.000000E+00 0.000000E+00 CYCLO-01 1.68070 1.68070 0.000000E+00 WATER 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE 20 MOLE(KMOL/HR ) 116.952 116.952 0.000000E+00 MASS(KG/HR ) 1272.58 1272.58 0.000000E+00 ENTHALPY(WATT ) -763980. -763980. -0.304760E-15 *** INPUT DATA *** FLASH SPECS FOR HOT SIDE: TWO PHASE FLASH MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 FLASH SPECS FOR COLD SIDE: TWO PHASE FLASH MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 11 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: EX-2 MODEL: HEATX (CONTINUED) FLOW DIRECTION AND SPECIFICATION: COUNTERCURRENT HEAT EXCHANGER SPECIFIED HOT OUTLET TEMP SPECIFIED VALUE C 40.0000 LMTD CORRECTION FACTOR 1.00000 PRESSURE SPECIFICATION: HOT SIDE PRESSURE DROP KPA 0.0000 COLD SIDE PRESSURE DROP KPA 0.0000 HEAT TRANSFER COEFFICIENT SPECIFICATION: HOT LIQUID COLD LIQUID WATT/SQM-K 850.0000 HOT 2-PHASE COLD LIQUID WATT/SQM-K 850.0000 HOT VAPOR COLD LIQUID WATT/SQM-K 850.0000 HOT LIQUID COLD 2-PHASE WATT/SQM-K 850.0000 HOT 2-PHASE COLD 2-PHASE WATT/SQM-K 850.0000 HOT VAPOR COLD 2-PHASE WATT/SQM-K 850.0000 HOT LIQUID COLD VAPOR WATT/SQM-K 850.0000 HOT 2-PHASE COLD VAPOR WATT/SQM-K 850.0000 HOT VAPOR COLD VAPOR WATT/SQM-K 850.0000 *** OVERALL RESULTS *** 21 STREAMS: -------------------------------------- | | 9 ----->| HOT |-----> 12 T= 5.9326D+01 | | T= 4.0000D+01 P= 2.4700D+03 | | P= 2.4700D+03 V= 1.0000D+00 | | V= 9.8701D-01 | | 15 <-----| COLD |<----- 14 T= 4.1226D+01 | | T= 8.0000D+00 P= 2.4700D+03 | | P= 2.4700D+03 V= 1.0000D+00 | | V= 1.0000D+00 -------------------------------------- DUTY AND AREA: CALCULATED HEAT DUTY WATT 16999.7171 CALCULATED (REQUIRED) AREA SQM 0.8199 HEAT TRANSFER COEFFICIENT: AVERAGE COEFFICIENT (DIRTY) WATT/SQM-K 850.0000 LOG-MEAN TEMPERATURE DIFFERENCE: LMTD CORRECTION FACTOR 1.0000 LMTD (CORRECTED) C 24.3932 PRESSURE DROP: SHELLSIDE, TOTAL KPA 0.0000 TUBESIDE, TOTAL KPA 0.0000 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 12 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: EX-2 MODEL: HEATX (CONTINUED) *** ZONE RESULTS *** TEMPERATURE LEAVING EACH ZONE: HOT ------------------------------------------------------------- | | 9 | COND | 12 ------> | |------> 59.3 | | 40.0 22 | | 15 | VAP | 14 <------ | |<------ 41.2 | | 8.0 | | ------------------------------------------------------------- COLD ZONE HEAT TRANSFER AND AREA: ZONE HEAT DUTY AREA DTLM AVERAGE U WATT SQM C WATT/SQM-K 1 16999.717 0.8199 24.3932 850.0000 BLOCK: PUMP1 MODEL: PUMP ---------------------------- INLET STREAM: 1 OUTLET STREAM: 2 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 0.000000E+00 0.000000E+00 0.000000E+00 NITRO-01 0.000000E+00 0.000000E+00 0.000000E+00 METHA-01 0.000000E+00 0.000000E+00 0.000000E+00 BENZE-01 71.4410 71.4410 0.000000E+00 CYCLO-01 0.000000E+00 0.000000E+00 0.000000E+00 WATER 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 71.4410 71.4410 0.000000E+00 MASS(KG/HR ) 5580.52 5580.52 0.000000E+00 ENTHALPY(WATT ) 0.103138E+07 0.104351E+07 -0.116183E-01 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 13 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: PUMP1 MODEL: PUMP (CONTINUED) *** INPUT DATA *** OUTLET PRESSURE (KPA ) 2,680.00 DRIVER EFFICIENCY 1.00000 FLASH SPECIFICATIONS: 23 LIQUID PHASE CALCULATION NO FLASH PERFORMED MAXIMUM NUMBER OF ITERATIONS 30 TOLERANCE 0.00010000 *** RESULTS *** VOLUMETRIC FLOW RATE (CUM/SEC ) 0.0018053 PRESSURE CHANGE (KPA ) 2,380.00 NPSH AVAILABLE (METER ) 32.6341 FLUID POWER (WATT ) 4,296.68 BRAKE POWER (WATT ) 12,123.8 ELECTRICITY (WATT ) 12,123.8 PUMP EFFICIENCY USED 0.35440 NET WORK (WATT ) -12,123.8 BLOCK: REACTOR1 MODEL: RSTOIC ------------------------------ INLET STREAMS: 4 2 OUTLET STREAM: 6 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 247.186 40.3643 -206.822 0.000000E+00 NITRO-01 8.28200 8.28200 0.000000E+00 0.000000E+00 METHA-01 18.7860 18.7860 0.000000E+00 0.000000E+00 BENZE-01 71.4410 2.50043 -68.9406 0.000000E+00 CYCLO-01 0.000000E+00 68.9406 68.9406 0.000000E+00 WATER 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 345.695 138.873 -206.822 -0.164432E-15 MASS(KG/HR ) 6612.20 6612.20 0.137548E-15 ENTHALPY(WATT ) 772150. -0.215151E+07 1.35889 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 14 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: REACTOR1 MODEL: RSTOIC (CONTINUED) *** INPUT DATA *** SIMULTANEOUS REACTIONS 24 STOICHIOMETRY MATRIX: REACTION # 1: SUBSTREAM MIXED : HYDRO-01 -3.00 BENZE-01 -1.00 CYCLO-01 1.00 REACTION CONVERSION SPECS: NUMBER= 1 REACTION # 1: SUBSTREAM:MIXED KEY COMP:BENZE-01 CONV FRAC: 0.9650 HEAT OF REACTION SPECIFICATIONS: REACTION REFERENCE HEAT OF NUMBER COMPONENT REACTION J/KMOL 1 BENZE-01 0.21350E+09 TWO PHASE TP FLASH SPECIFIED TEMPERATURE C 200.000 SPECIFIED PRESSURE KPA 2,680.00 MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 *** RESULTS *** OUTLET TEMPERATURE C 200.00 OUTLET PRESSURE KPA 2680.0 HEAT DUTY WATT 0.51182E+07 VAPOR FRACTION 1.0000 (NOTE: BLOCK DUTY IS INCONSISTENT WITH STREAM ENTHALPIES DUE TO HEAT OF REACTION SPECIFICATION) REACTION EXTENTS: REACTION REACTION NUMBER EXTENT KMOL/HR 1 68.941 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 15 CYCLHEXANE SYNTHESIS 25 U-O-S BLOCK SECTION BLOCK: REACTOR1 MODEL: RSTOIC (CONTINUED) V-L PHASE EQUILIBRIUM : COMP F(I) X(I) Y(I) K(I) HYDRO-01 0.29066 0.10928E-01 0.29066 29.004 NITRO-01 0.59637E-01 0.35672E-02 0.59637E-01 18.231 METHA-01 0.13527 0.12892E-01 0.13527 11.442 BENZE-01 0.18005E-01 0.31615E-01 0.18005E-01 0.62100 CYCLO-01 0.49643 0.94100 0.49643 0.57525 BLOCK: REACTOR2 MODEL: RSTOIC ------------------------------ INLET STREAM: 6 OUTLET STREAM: 5 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 40.3643 32.8630 -7.50130 0.110020E-15 NITRO-01 8.28200 8.28200 0.000000E+00 0.000000E+00 METHA-01 18.7860 18.7860 0.000000E+00 0.000000E+00 BENZE-01 2.50043 0.000000E+00 -2.50043 0.000000E+00 CYCLO-01 68.9406 71.4410 2.50043 -0.559455E-16 WATER 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 138.873 131.372 -7.50130 0.185472E-15 MASS(KG/HR ) 6612.20 6612.20 -0.137548E-15 ENTHALPY(WATT ) -0.215151E+07 -0.215151E+07 0.000000E+00 *** INPUT DATA *** SIMULTANEOUS REACTIONS STOICHIOMETRY MATRIX: REACTION # 1: SUBSTREAM MIXED : HYDRO-01 -3.00 BENZE-01 -1.00 CYCLO-01 1.00 26 REACTION CONVERSION SPECS: NUMBER= 1 REACTION # 1: SUBSTREAM:MIXED KEY COMP:BENZE-01 CONV FRAC: 1.000 TWO PHASE PQ FLASH SPECIFIED PRESSURE KPA 2,600.00 SPECIFIED HEAT DUTY WATT 0.0 MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 16 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: REACTOR2 MODEL: RSTOIC (CONTINUED) *** RESULTS *** OUTLET TEMPERATURE C 234.35 OUTLET PRESSURE KPA 2600.0 VAPOR FRACTION 1.0000 HEAT OF REACTIONS: REACTION REFERENCE HEAT OF NUMBER COMPONENT REACTION J/KMOL 1 BENZE-01 -0.20644E+09 REACTION EXTENTS: REACTION REACTION NUMBER EXTENT KMOL/HR 1 2.5004 V-L PHASE EQUILIBRIUM : COMP F(I) X(I) Y(I) K(I) HYDRO-01 0.25015 0.62375E-02 0.25015 16.463 NITRO-01 0.63042E-01 0.26221E-02 0.63042E-01 11.506 METHA-01 0.14300 0.98326E-02 0.14300 8.1700 CYCLO-01 0.54381 0.98131 0.54381 0.83487 BLOCK: SEP-1 MODEL: FLASH2 ------------------------------ 27 INLET STREAMS: 8 11 OUTLET VAPOR STREAM: 9 OUTLET LIQUID STREAM: 10 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 32.8695 32.8695 0.000000E+00 NITRO-01 8.28775 8.28775 -0.214335E-15 METHA-01 18.8230 18.8230 0.000000E+00 BENZE-01 0.000000E+00 0.000000E+00 0.000000E+00 CYCLO-01 72.7375 72.7375 0.195372E-15 WATER 0.000000E+00 0.000000E+00 0.000000E+00 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 17 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: SEP-1 MODEL: FLASH2 (CONTINUED) TOTAL BALANCE MOLE(KMOL/HR ) 132.718 132.718 0.000000E+00 MASS(KG/HR ) 6722.09 6722.09 0.270599E-15 ENTHALPY(WATT ) -0.339331E+07 -0.339331E+07 -0.248629E-07 *** INPUT DATA *** TWO PHASE PQ FLASH SPECIFIED PRESSURE KPA 2,470.00 SPECIFIED HEAT DUTY WATT 0.0 MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 *** RESULTS *** OUTLET TEMPERATURE C 59.326 OUTLET PRESSURE KPA 2470.0 VAPOR FRACTION 0.44567 V-L PHASE EQUILIBRIUM : COMP F(I) X(I) Y(I) K(I) HYDRO-01 0.24766 0.61500E-02 0.54806 89.116 NITRO-01 0.62446E-01 0.40629E-02 0.13506 33.243 METHA-01 0.14183 0.21323E-01 0.29171 13.681 CYCLO-01 0.54806 0.96846 0.25167E-01 0.25986E-01 28 BLOCK: SEP-2 MODEL: FLASH2 ------------------------------ INLET STREAM: 13 OUTLET VAPOR STREAM: 14 OUTLET LIQUID STREAM: 11 PROPERTY OPTION SET: PENG-ROB STANDARD PR EQUATION OF STATE *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (KMOL/HR ) HYDRO-01 32.4171 32.4171 0.000000E+00 NITRO-01 7.98884 7.98884 0.444710E-15 METHA-01 17.2543 17.2543 0.000000E+00 BENZE-01 0.000000E+00 0.000000E+00 0.000000E+00 CYCLO-01 1.48863 1.48863 0.000000E+00 WATER 0.000000E+00 0.000000E+00 0.000000E+00 TOTAL BALANCE MOLE(KMOL/HR ) 59.1488 59.1488 0.000000E+00 MASS(KG/HR ) 691.236 691.236 0.000000E+00 ENTHALPY(WATT ) -430597. -430597. -0.548861E-08 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 18 CYCLHEXANE SYNTHESIS U-O-S BLOCK SECTION BLOCK: SEP-2 MODEL: FLASH2 (CONTINUED) *** INPUT DATA *** TWO PHASE PQ FLASH SPECIFIED PRESSURE KPA 2,470.00 SPECIFIED HEAT DUTY WATT 0.0 MAXIMUM NO. ITERATIONS 30 CONVERGENCE TOLERANCE 0.00010000 *** RESULTS *** OUTLET TEMPERATURE C 8.0000 OUTLET PRESSURE KPA 2470.0 VAPOR FRACTION 0.97725 V-L PHASE EQUILIBRIUM : COMP F(I) X(I) Y(I) K(I) HYDRO-01 0.54806 0.48668E-02 0.56071 115.21 NITRO-01 0.13506 0.42695E-02 0.13811 32.347 METHA-01 0.29171 0.27496E-01 0.29786 10.833 29 CYCLO-01 0.25168E-01 0.96337 0.33234E-02 0.34497E-02 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 19 CYCLHEXANE SYNTHESIS STREAM SECTION 1 10 11 12 13 ------------- STREAM ID 1 10 11 12 13 FROM : ---- SEP-1 SEP-2 EX-2 COOL-2 TO : PUMP1 ---- SEP-1 COOL-2 SEP-2 SUBSTREAM: MIXED PHASE: LIQUID LIQUID LIQUID MIXED MIXED COMPONENTS: KMOL/HR HYDRO-01 0.0 0.4524 6.5499-03 32.4171 32.4170 NITRO-01 0.0 0.2989 5.7461-03 7.9888 7.9888 METHA-01 0.0 1.5687 3.7005-02 17.2543 17.2542 BENZE-01 71.4410 0.0 0.0 0.0 0.0 CYCLO-01 0.0 71.2489 1.2965 1.4886 1.4886 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: MOLE FRAC HYDRO-01 0.0 6.1500-03 4.8668-03 0.5480 0.5480 NITRO-01 0.0 4.0629-03 4.2695-03 0.1350 0.1350 METHA-01 0.0 2.1323-02 2.7496-02 0.2917 0.2917 BENZE-01 1.0000 0.0 0.0 0.0 0.0 CYCLO-01 0.0 0.9684 0.9633 2.5167-02 2.5168-02 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: KG/HR HYDRO-01 0.0 0.9120 1.3204-02 65.3489 65.3489 NITRO-01 0.0 8.3733 0.1609 223.7952 223.7951 METHA-01 0.0 25.1663 0.5936 276.8065 276.8062 BENZE-01 5580.5165 0.0 0.0 0.0 0.0 CYCLO-01 0.0 5996.4016 109.1177 125.2821 125.2852 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: MASS FRAC HYDRO-01 0.0 1.5124-04 1.2016-04 9.4540-02 9.4539-02 NITRO-01 0.0 1.3884-03 1.4649-03 0.3237 0.3237 METHA-01 0.0 4.1729-03 5.4026-03 0.4004 0.4004 BENZE-01 1.0000 0.0 0.0 0.0 0.0 CYCLO-01 0.0 0.9942 0.9930 0.1812 0.1812 WATER 0.0 0.0 0.0 0.0 0.0 TOTAL FLOW: KMOL/HR 71.4410 73.5689 1.3458 59.1488 59.1488 30 KG/HR 5580.5165 6030.8533 109.8855 691.2329 691.2355 CUM/SEC 1.8053-03 2.2823-03 3.9118-05 1.7139-02 1.5224-02 STATE VARIABLES: TEMP C 40.0000 59.3257 8.0000 40.0000 8.0000 PRES KPA 300.0000 2470.0000 2470.0000 2470.0000 2470.0000 VFRAC 0.0 0.0 0.0 0.9870 0.9772 LFRAC 1.0000 1.0000 1.0000 1.2995-02 2.2753-02 SFRAC 0.0 0.0 0.0 0.0 0.0 ENTHALPY: J/KMOL 5.1973+07 -1.4692+08 -1.5402+08 -2.4830+07 -2.6208+07 J/KG 6.6535+05 -1.7922+06 -1.8864+06 -2.1247+06 -2.2426+06 WATT 1.0314+06 -3.0023+06 -5.7580+04 -4.0796+05 -4.3060+05 ENTROPY: J/KMOL-K -2.4370+05 -5.7842+05 -6.0012+05 -5.4290+04 -5.8922+04 J/KG-K -3119.7695 -7056.0114 -7350.0335 -4645.6179 -5041.9071 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 20 CYCLHEXANE SYNTHESIS STREAM SECTION 1 10 11 12 13 (CONTINUED) STREAM ID 1 10 11 12 13 DENSITY: KMOL/CUM 10.9923 8.9542 9.5568 0.9586 1.0792 KG/CUM 858.6500 734.0279 780.3057 11.2030 12.6120 AVG MW 78.1136 81.9754 81.6487 11.6863 11.6863 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 21 CYCLHEXANE SYNTHESIS STREAM SECTION 14 15 2 3 4 ----------- STREAM ID 14 15 2 3 4 FROM : SEP-2 EX-2 PUMP1 ---- COMP TO : EX-2 ---- REACTOR1 COMP REACTOR1 SUBSTREAM: MIXED PHASE: VAPOR VAPOR LIQUID VAPOR VAPOR COMPONENTS: KMOL/HR HYDRO-01 32.4105 32.4105 0.0 247.1860 247.1860 NITRO-01 7.9830 7.9830 0.0 8.2820 8.2820 METHA-01 17.2172 17.2172 0.0 18.7860 18.7860 31 BENZE-01 0.0 0.0 71.4410 0.0 0.0 CYCLO-01 0.1921 0.1921 0.0 0.0 0.0 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: MOLE FRAC HYDRO-01 0.5607 0.5607 0.0 0.9013 0.9013 NITRO-01 0.1381 0.1381 0.0 3.0198-02 3.0198-02 METHA-01 0.2978 0.2978 0.0 6.8499-02 6.8499-02 BENZE-01 0.0 0.0 1.0000 0.0 0.0 CYCLO-01 3.3234-03 3.3234-03 0.0 0.0 0.0 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: KG/HR HYDRO-01 65.3357 65.3357 0.0 498.2973 498.2973 NITRO-01 223.6341 223.6341 0.0 232.0076 232.0076 METHA-01 276.2125 276.2125 0.0 301.3792 301.3792 BENZE-01 0.0 0.0 5580.5165 0.0 0.0 CYCLO-01 16.1674 16.1674 0.0 0.0 0.0 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: MASS FRAC HYDRO-01 0.1123 0.1123 0.0 0.4829 0.4829 NITRO-01 0.3846 0.3846 0.0 0.2248 0.2248 METHA-01 0.4751 0.4751 0.0 0.2921 0.2921 BENZE-01 0.0 0.0 1.0000 0.0 0.0 CYCLO-01 2.7810-02 2.7810-02 0.0 0.0 0.0 WATER 0.0 0.0 0.0 0.0 0.0 TOTAL FLOW: KMOL/HR 57.8030 57.8030 71.4410 274.2540 274.2540 KG/HR 581.3499 581.3499 5580.5165 1031.6842 1031.6842 CUM/SEC 1.5185-02 1.7042-02 1.8135-03 9.9905-02 7.7149-02 STATE VARIABLES: TEMP C 8.0000 41.2262 43.7858 24.0000 76.8746 PRES KPA 2470.0000 2470.0000 2680.0000 1900.0000 2910.0000 VFRAC 1.0000 1.0000 0.0 1.0000 1.0000 LFRAC 0.0 0.0 1.0000 0.0 0.0 SFRAC 0.0 0.0 0.0 0.0 0.0 ENTHALPY: J/KMOL -2.3232+07 -2.2173+07 5.2584+07 -5.1334+06 -3.5620+06 J/KG -2.3099+06 -2.2046+06 6.7317+05 -1.3646+06 -9.4689+05 WATT -3.7302+05 -3.5602+05 1.0435+06 -3.9107+05 -2.7136+05 ENTROPY: J/KMOL-K -4.6321+04 -4.2762+04 -2.4242+05 -2.6875+04 -2.5591+04 J/KG-K -4605.6298 -4251.7604 -3103.4693 -7144.3364 -6802.9352 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 22 CYCLHEXANE SYNTHESIS STREAM SECTION 32 14 15 2 3 4 (CONTINUED) STREAM ID 14 15 2 3 4 DENSITY: KMOL/CUM 1.0573 0.9421 10.9425 0.7625 0.9874 KG/CUM 10.6344 9.4755 854.7597 2.8685 3.7146 AVG MW 10.0574 10.0574 78.1136 3.7617 3.7617 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 23 CYCLHEXANE SYNTHESIS STREAM SECTION 5 6 7 8 9 --------- STREAM ID 5 6 7 8 9 FROM : REACTOR2 REACTOR1 EX-1 COOL-1 SEP-1 TO : EX-1 REACTOR2 COOL-1 SEP-1 EX-2 SUBSTREAM: MIXED PHASE: VAPOR VAPOR MIXED MIXED VAPOR COMPONENTS: KMOL/HR HYDRO-01 32.8630 40.3643 32.8630 32.8630 32.4171 NITRO-01 8.2820 8.2820 8.2820 8.2820 7.9888 METHA-01 18.7860 18.7860 18.7860 18.7860 17.2543 BENZE-01 0.0 2.5004 0.0 0.0 0.0 CYCLO-01 71.4410 68.9405 71.4410 71.4410 1.4886 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: MOLE FRAC HYDRO-01 0.2501 0.2906 0.2501 0.2501 0.5480 NITRO-01 6.3042-02 5.9637-02 6.3042-02 6.3042-02 0.1350 METHA-01 0.1430 0.1352 0.1430 0.1430 0.2917 BENZE-01 0.0 1.8005-02 0.0 0.0 0.0 CYCLO-01 0.5438 0.4964 0.5438 0.5438 2.5167-02 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: KG/HR HYDRO-01 66.2478 81.3696 66.2478 66.2478 65.3489 NITRO-01 232.0076 232.0076 232.0076 232.0076 223.7952 METHA-01 301.3792 301.3792 301.3792 301.3792 276.8065 BENZE-01 0.0 195.3180 0.0 0.0 0.0 CYCLO-01 6012.5660 5802.1261 6012.5660 6012.5660 125.2821 WATER 0.0 0.0 0.0 0.0 0.0 COMPONENTS: MASS FRAC 33 HYDRO-01 1.0019-02 1.2306-02 1.0019-02 1.0019-02 9.4540-02 NITRO-01 3.5088-02 3.5088-02 3.5088-02 3.5088-02 0.3237 METHA-01 4.5579-02 4.5579-02 4.5579-02 4.5579-02 0.4004 BENZE-01 0.0 2.9539-02 0.0 0.0 0.0 CYCLO-01 0.9093 0.8774 0.9093 0.9093 0.1812 WATER 0.0 0.0 0.0 0.0 0.0 TOTAL FLOW: KMOL/HR 131.3720 138.8733 131.3720 131.3720 59.1488 KG/HR 6612.2008 6612.2008 6612.2008 6612.2008 691.2329 CUM/SEC 5.3851-02 5.0744-02 3.7775-02 2.0696-02 1.8407-02 STATE VARIABLES: TEMP C 234.3486 200.0000 130.0000 60.0000 59.3257 PRES KPA 2600.0000 2680.0000 1900.0000 2470.0000 2470.0000 VFRAC 1.0000 1.0000 0.5691 0.4504 1.0000 LFRAC 0.0 0.0 0.4308 0.5495 0.0 SFRAC 0.0 0.0 0.0 0.0 0.0 ENTHALPY: J/KMOL -5.8958+07 -5.5773+07 -8.0756+07 -9.1409+07 -2.3795+07 J/KG -1.1714+06 -1.1714+06 -1.6045+06 -1.8161+06 -2.0362+06 WATT -2.1515+06 -2.1515+06 -2.9470+06 -3.3357+06 -3.9096+05 ENTROPY: J/KMOL-K -2.6412+05 -2.5129+05 -3.1091+05 -3.4079+05 -5.1087+04 J/KG-K -5247.5374 -5277.6369 -6177.2369 -6770.8791 -4371.5411 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 24 CYCLHEXANE SYNTHESIS STREAM SECTION 5 6 7 8 9 (CONTINUED) STREAM ID 5 6 7 8 9 DENSITY: KMOL/CUM 0.6776 0.7602 0.9660 1.7632 0.8925 KG/CUM 34.1074 36.1960 48.6221 88.7492 10.4310 AVG MW 50.3318 47.6131 50.3318 50.3318 11.6863 ASPEN PLUS VER: WIN32 REL: 10.0-1 05/14/2010 PAGE 25 CYCLHEXANE SYNTHESIS PROBLEM STATUS SECTION BLOCK STATUS ------------ **************************************************************************** * * 34 * Calculations were completed normally * * * * All Unit Operation blocks were completed normally * * * * All streams were flashed normally * * * * All Convergence blocks were completed normally * * * **************************************************************************** 35