Design S2 - Revision history

Jian: /* References */

2015-02-28T22:43:17Z

References

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	Nicnas.gov.au. Butanediol (1,4-butanediol) factsheet [Internet]. Sydney: National Industrial Chemicals Notification and Assessment Scheme [cited 2015 Feb 28]. Available from: http://www.nicnas.gov.au/communications/publications/information-sheets/existing-chemical-info-sheets/other-information-sheets.		Nicnas.gov.au. Butanediol (1,4-butanediol) factsheet [Internet]. Sydney: National Industrial Chemicals Notification and Assessment Scheme [cited 2015 Feb 28]. Available from: http://www.nicnas.gov.au/communications/publications/information-sheets/existing-chemical-info-sheets/other-information-sheets.

	Orbichem.com. Chemical Market Insight & Foresight-On A Single Page 1,4-Butanediol [Internet]. Tecnon OrbiChem; c2004-15 [cited 2015 Feb 26]. Available from: http://www.orbichem.com/userfiles/CNF%20Samples/bdo_13_11.pdf		Orbichem.com. Chemical Market Insight & Foresight-On A Single Page 1,4-Butanediol [Internet]. Tecnon OrbiChem; c2004-15 [cited 2015 Feb 26]. Available from: http://www.orbichem.com/userfiles/CNF%20Samples/bdo_13_11.pdf.

Jian: /* References */

2015-02-28T22:42:51Z

References

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	==References==		==References==
	~~# Nexant~~.~~''Is Bio~~-~~Butanediol Here to Stay?'' White Plains~~, ~~NY: ChemSystems Products~~; ~~2012~~.		Bhattacharyya A, Manila MD, inventor; ISP Investments Inc., assignee. Catalysts for maleic acid hydrogenation to 1,4-butanediol. United States Patent US 7935834 B2. 2011 May 3.
	~~# De Guzman D~~. Chemical industry awaits for bio-succinic acid potential. ~~ICIS~~. Available at: http://www.icis.com/resources/news/2012/01/30/9527521/chemical-industry-awaits-for-bio-succinic-acid-potential/. ~~Accessed January 24~~, ~~2014.~~
	~~# Australian Government: Department of Health~~. 1,4-butanediol ~~factsheet~~. ~~National Industrial Chemicals Notification and Assessment Scheme~~. Available at: http://~~www.nicnas~~.~~gov~~.au/~~communications~~/~~publications~~/~~information-sheets~~/~~existing-chemical-info-sheets~~/~~other-information-sheets~~. ~~Accessed January 24, 2014~~.		Burk MJ, Stephen J, Dien SJV, Burgard AP, Niu W, inventor; Genomatica Inc., assignee. Compositions and methods for the biosynthesis of 1,4-butanediol and its precursors. United States Patent US8067214 B2. 2011 Nov 29.
	~~# TecnonOrbiChem~~. ~~Chem~~-~~net facts~~: ~~1,4-butanediol~~. ~~TecnonOrbiChem~~. Available at: http://www.~~orbichem~~.com/~~userfiles~~/~~CNF%20Samples~~/~~bdo_13_11~~.~~pdf~~. ~~Accessed January 23, 2014~~.
	~~# Nexant~~. 1,4-butanediol~~/tetrahydrofuran (BDO/THF~~). ~~ChemSystems~~. Available at: http://www.~~chemsystems~~.~~com~~/~~about~~/cs/~~news~~/~~items/ PERP2012_3_BDO_THF.cfm. Accessed February 6, 2014.~~		Chung SH, Kim MS, Eom HJ, Lee KY. Hydrogenation of Succinic Acid Using Ruthenium Nanoparticles Embedded Catalysts. Proceedings of 2013 AIChE Annual Meeting; 2013 Nov 6; San Francisco, USA.
	~~# Burk MJ, Van Dien SJ, Burgard AP, inventors; Genomatica, Inc., assignee. Compositions and methods for the biosynthesis of 1,4~~-~~butanediol and its precursors. US patent 8,067,214. Nov. 29, 2011.~~
	~~# Chung S~~-~~H, Kim M~~-~~S, Eom H~~-~~H, Lee K~~-Y. ~~Catalytic hydrogenation of bio~~-~~based succinic acid for the production of~~ 1,4-~~butanediol through the indirect pathway~~. ~~AIChE~~. Available at: ~~https~~://~~aiche~~.~~confex~~.com/~~aiche~~/~~2013~~/~~webprogram/Paper327470.html. Accessed January 23, 2014.~~		Icis.com. Chemical industry awaits for bio-succinic acid potential [Internet]. Surrey: Reed Business Information Limited; c2015 [cited 2015 Feb 26]. Available from: http://www.icis.com/resources/news/2012/01/30/9527521/chemical-industry-awaits-for-bio-succinic-acid-potential/.
	~~# Bhattacharyya A, Manila MD, inventors; ISP Investments Inc., assignee. Catalysts for maleic acid hydrogenation to 1,4-Butanediol. US patent 7,935,834 B2. May 3, 2011~~.
			Ingram A, Le B. 1,4-butanediol/tetrahydrofuran (BDO/THF) [Internet]. Wheaton: Nexant Inc.; c2011- [updated 2013 Apr; cited 2015 Feb 28]. Available from: http://thinking.nexant.com/sites/default/files/report/field_attachment_abstract/201304/2012_3_abs.pdf.

			Nexant.com. Is Bio-Butanediol Here to Stay [Internet]? Wheaton: Nexant Inc.; c2000–15 [cited 2015 Feb 28]. Available from: http://www.nexant.com/about/news/bio-butanediol-here-stay.

			Nicnas.gov.au. Butanediol (1,4-butanediol) factsheet [Internet]. Sydney: National Industrial Chemicals Notification and Assessment Scheme [cited 2015 Feb 28]. Available from: http://www.nicnas.gov.au/communications/publications/information-sheets/existing-chemical-info-sheets/other-information-sheets.

			Orbichem.com. Chemical Market Insight & Foresight-On A Single Page 1,4-Butanediol [Internet]. Tecnon OrbiChem; c2004-15 [cited 2015 Feb 26]. Available from: http://www.orbichem.com/userfiles/CNF%20Samples/bdo_13_11.pdf

Jian: /* Equipment costing */

2015-02-28T22:40:32Z

Equipment costing

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	==Economics==		==Economics==
	===Equipment costing===		===Equipment costing===
	The calculated capital costs from Aspen Economic Analyzer are reported in Table 2 for all process equipment. The size of the reactor was calculated from the liquid hourly space velocity given in the 2011 ISP patent ~~[8]~~ and a void fraction estimate of 0.4. Storage tanks were sized to contain up to two continuous weeks of material. The number of distillation trays in each tower and the flow rates through pumps, vessels, and the flare were calculated in HYSYS. Heat exchange areas were given in Aspen Energy Analyzer or from HYSYS.		The calculated capital costs from Aspen Economic Analyzer are reported in Table 2 for all process equipment. The size of the reactor was calculated from the liquid hourly space velocity given in the 2011 ISP patent (Bhattacharyya and Manila, 2011) and a void fraction estimate of 0.4. Storage tanks were sized to contain up to two continuous weeks of material. The number of distillation trays in each tower and the flow rates through pumps, vessels, and the flare were calculated in HYSYS. Heat exchange areas were given in Aspen Energy Analyzer or from HYSYS.

	[[File:Equipment_cost.JPG\|center\|]]		[[File:Equipment_cost.JPG\|center\|]]

Jian: /* Reactor */

2015-02-28T22:40:14Z

Reactor

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	===Reactor===		===Reactor===
	The hydrogenation reaction occurs inside of the reactor thanks to the packed catalyst bed. The catalyst used is 0.4% Fe, 1.9% Na, 2.66% Ag, 2.66% Pd, 10.0% Re on 1.5mm carbon support. With this catalyst, BDO is produced with over 90% selectivity and minimal side reactions of THF and GBL ~~[8]~~. The reaction has an operating pressure of 2000-4000 psi and internal reactor temperature of 165°C. This temperature allows for about 99.7% conversion of succinic acid ~~[8]~~. Due to the exothermic nature of the reaction, a cooling jacket is required which utilizes downstream cold streams to cool the internal bed to maintain the desired reaction temperature.		The hydrogenation reaction occurs inside of the reactor thanks to the packed catalyst bed. The catalyst used is 0.4% Fe, 1.9% Na, 2.66% Ag, 2.66% Pd, 10.0% Re on 1.5mm carbon support. With this catalyst, BDO is produced with over 90% selectivity and minimal side reactions of THF and GBL (Bhattacharyya and Manila, 2011). The reaction has an operating pressure of 2000-4000 psi and internal reactor temperature of 165°C. This temperature allows for about 99.7% conversion of succinic acid (Bhattacharyya and Manila, 2011). Due to the exothermic nature of the reaction, a cooling jacket is required which utilizes downstream cold streams to cool the internal bed to maintain the desired reaction temperature.

	===Post-reactor===		===Post-reactor===

Jian: /* Process alternatives */

2015-02-28T22:39:18Z

Process alternatives

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	===Process alternatives===		===Process alternatives===
	1,4-butanediol is traditionally made from petroleum-derived feedstocks in a variety of processes ~~[5]~~. Recently, because of the continually high price of crude oil and the desire to be environmentally-conscious, there has been a push toward the use of feedstocks derived from biomass. Several companies are currently implementing bio-routes of producing butanediol. Genomatica is using a bioengineered microorganism to convert sugar feedstocks directly to BDO via fermentation ~~[6]~~, but most companies are instead using microorganisms to convert sugar to succinic acid. The bio-succinic acid can be easily used in the Davy process as a substitute for maleic acid to form the end product, which is the path that most are choosing, although research is being conducted on alternative pathways ~~[7]~~.		1,4-butanediol is traditionally made from petroleum-derived feedstocks in a variety of processes (Ingram and Le, 2013). Recently, because of the continually high price of crude oil and the desire to be environmentally-conscious, there has been a push toward the use of feedstocks derived from biomass. Several companies are currently implementing bio-routes of producing butanediol. Genomatica is using a bioengineered microorganism to convert sugar feedstocks directly to BDO via fermentation (Burk et al., 2011), but most companies are instead using microorganisms to convert sugar to succinic acid. The bio-succinic acid can be easily used in the Davy process as a substitute for maleic acid to form the end product, which is the path that most are choosing, although research is being conducted on alternative pathways (Chung et al., 2013).

	==Process overview==		==Process overview==

Jian: /* Market analysis */

2015-02-28T22:36:49Z

Market analysis

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	===Market analysis===		===Market analysis===
	Butanediol has a quickly expanding market due to new technological evolutions and its growing use as a chemical intermediary in advanced materials. With biological routes being optimized, the potential of biomass-derived chemicals is tremendous. The global demand of BDO was estimated at 1.5 million metric tons in 2011 and is projected to grow at an annual rate of 4.5% for the next several years ~~[1]~~. Unlike other chemical products, BDO’s profitability and attractiveness to producers lies in its downstream potential. Figure 1 below demonstrates several potential downstream products that can be directly or indirectly synthesized from BDO. The largest of these contributors include THF and GBL.		Butanediol has a quickly expanding market due to new technological evolutions and its growing use as a chemical intermediary in advanced materials. With biological routes being optimized, the potential of biomass-derived chemicals is tremendous. The global demand of BDO was estimated at 1.5 million metric tons in 2011 and is projected to grow at an annual rate of 4.5% for the next several years (Nexant.com). Unlike other chemical products, BDO’s profitability and attractiveness to producers lies in its downstream potential. Figure 1 below demonstrates several potential downstream products that can be directly or indirectly synthesized from BDO. The largest of these contributors include THF and GBL.

	[[File:BioButanediol_Downstream.JPG\|center\|frame\|Figure 1. BDO downstream potential flow chart]]		[[File:BioButanediol_Downstream.JPG\|center\|frame\|Figure 1. BDO downstream potential flow chart]]

	The current market demand of BDO is being supplemented by several global chemical companies. These companies include BASF, BioAmber, Purac, Myriant, DSM, Mitsubishi Chemical, Roquette, and OPXBIO. The market shares of these companies were not available for this product; however, with the consistent growth of the BDO market our team feels that the market is not saturated or impenetrable. The current market price of BDO fluctuates between $3.06 and $3.31 per kg for US-made products ~~[4]~~. These prices correlate to a nearly 7 billion dollar industry.		The current market demand of BDO is being supplemented by several global chemical companies. These companies include BASF, BioAmber, Purac, Myriant, DSM, Mitsubishi Chemical, Roquette, and OPXBIO. The market shares of these companies were not available for this product; however, with the consistent growth of the BDO market our team feels that the market is not saturated or impenetrable. The current market price of BDO fluctuates between $3.06 and $3.31 per kg for US-made products (Orbichem.com). These prices correlate to a nearly 7 billion dollar industry.

	===Process alternatives===		===Process alternatives===

Jian: /* General information */

2015-02-28T22:36:22Z

General information

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	==Background==		==Background==
	===General information===		===General information===
	BDO is an organic chemical with the molecular formula <math>C_4H_{10}O_2</math>. It is also a diol with its two hydroxyl groups located at the terminal carbons. BDO has a boiling point of 235 degrees C and is therefore a colorless liquid at standard temperatures and pressures ~~[3]~~.		BDO is an organic chemical with the molecular formula <math>C_4H_{10}O_2</math>. It is also a diol with its two hydroxyl groups located at the terminal carbons. BDO has a boiling point of 235 degrees C and is therefore a colorless liquid at standard temperatures and pressures (Nicnas.gov.au).

	There are many precursors that petrochemical synthesis of BDO uses. The commonality between all of the precursor acids is that they are hydrogenatable. In replacement of one of these petrochemical precursors, our team has been tasked with the challenge of deriving BDO from the bio-based precursor succinic acid. This catalyzed reaction will take place in the presence of hydrogen as the hydrogenating component shown below:		There are many precursors that petrochemical synthesis of BDO uses. The commonality between all of the precursor acids is that they are hydrogenatable. In replacement of one of these petrochemical precursors, our team has been tasked with the challenge of deriving BDO from the bio-based precursor succinic acid. This catalyzed reaction will take place in the presence of hydrogen as the hydrogenating component shown below:

Jian: /* Introduction */

2015-02-28T22:35:52Z

Introduction

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	==Introduction==		==Introduction==
	1,4-butanediol (BDO) is traditionally made from petroleum-derived feedstocks in a variety of processes such as the Reppe (acetylene-based), Mitsubishi (butadiene-based), and Davy (maleic acid-based) processes ~~[1]~~. Recently, because of the continually high price of crude oil and the desire to be environmentally-conscious, there has been a push toward the use of feedstocks derived from biomass. Bio-succinic acid can be easily used in the Davy process as a substitute for maleic acid to form the end product, BDO ~~[1]~~. It is this process that Team S2Kool4Skool has chosen to develop for a new bio-butanediol plant, because the Davy method is mature and requires no new innovations, and because an appropriate feedstock of bio-succinic acid is now available. The plant will be located in East Carroll Parish, Louisiana. This county is also home to Myriant; located in Lake Providence, they are the largest domestic provider of bio-succinic acid ~~[2]~~. Furthermore, Lake Providence is conveniently located on the Mississippi River, which will allow for affordable transportation of our bio-based butanediol product. The intent of this project is to produce 45,000 metric tonnes of 99.5 wt% 1,4-butanediol per year in a new plant in Lake Providence, LA. The plant will run 24 hours per day for 350 days out of the year, allowing approximately two weeks for a maintenance shutdown.		1,4-butanediol (BDO) is traditionally made from petroleum-derived feedstocks in a variety of processes such as the Reppe (acetylene-based), Mitsubishi (butadiene-based), and Davy (maleic acid-based) processes (Nexant.com). Recently, because of the continually high price of crude oil and the desire to be environmentally-conscious, there has been a push toward the use of feedstocks derived from biomass. Bio-succinic acid can be easily used in the Davy process as a substitute for maleic acid to form the end product, BDO (Nexant.com). It is this process that Team S2Kool4Skool has chosen to develop for a new bio-butanediol plant, because the Davy method is mature and requires no new innovations, and because an appropriate feedstock of bio-succinic acid is now available. The plant will be located in East Carroll Parish, Louisiana. This county is also home to Myriant; located in Lake Providence, they are the largest domestic provider of bio-succinic acid (Icis.com). Furthermore, Lake Providence is conveniently located on the Mississippi River, which will allow for affordable transportation of our bio-based butanediol product. The intent of this project is to produce 45,000 metric tonnes of 99.5 wt% 1,4-butanediol per year in a new plant in Lake Providence, LA. The plant will run 24 hours per day for 350 days out of the year, allowing approximately two weeks for a maintenance shutdown.

	As there are several techniques for producing 1,4 butanediol in industry, the first step was to determine a synthesis path. Based on the chosen path, reaction kinetics, and required production rate of the process, a reactor system was then designed. Next, the process was designed to deliver the reactants to the reactor at the proper operating conditions, and the separations, purification, and waste management steps were designed. Cost estimates were made using costing software and hand calculations. Finally, the process was iterated and optimized to reduce costs.		As there are several techniques for producing 1,4 butanediol in industry, the first step was to determine a synthesis path. Based on the chosen path, reaction kinetics, and required production rate of the process, a reactor system was then designed. Next, the process was designed to deliver the reactants to the reactor at the proper operating conditions, and the separations, purification, and waste management steps were designed. Cost estimates were made using costing software and hand calculations. Finally, the process was iterated and optimized to reduce costs.

Karetstik: /* Discussion */

2014-03-15T05:30:04Z

Discussion

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	==Discussion==		==Discussion==
	As described previously, the Davy process was selected as the most promising process of BDO production. The modified Davy process involves the hydrogenation of bio-succinicic acid with a Pa,Ag,Re catalyst and hydrogen gas. This process has many advantages, one being that it has mature technology that has been improved over the last 20 years. Additionally, the conversion to of succinic acid is virtually complete. Finally, overall plant yields can reach as high as 94 mol%.		As described previously, the Davy process was selected as the most promising process of BDO production. The modified Davy process involves the hydrogenation of bio-succinicic acid with a Pa,Ag,Re catalyst and hydrogen gas. This process has many advantages, one being that it has mature technology that has been improved over the last 20 years. Additionally, the conversion to of succinic acid is virtually complete. Finally, overall plant yields can reach as high as 94 mol%.
	~~As shown in Appendix B, streams~~ ahead of the pressure valve (PRV-101) are at approximately 1.51e4 kPa, and streams after the pressure valve are between 100 and 450 kPa. Furthermore, operating temperatures do not exceed 200°C, including safety factors. These operating conditions contribute to the feasibility of the process, as all the components can be designed with reasonable dimensions (wall thickness, cap type, etc.).
			Streams ahead of the pressure valve (PRV-101) are at approximately 1.51e4 kPa, and streams after the pressure valve are between 100 and 450 kPa. Furthermore, operating temperatures do not exceed 200°C, including safety factors. These operating conditions contribute to the feasibility of the process, as all the components can be designed with reasonable dimensions (wall thickness, cap type, etc.).

	Of particular interest are the large costs of the reactor and pump P-101. The reactor costs nearly 2 MM$ because it has a moderate size with a liquid volume of 16.7 m3, and it operates at 150 atm, which requires a strong stainless steel shell for safety purposes. Pump P-101 has such a large capital cost because it is a centrifugal multistage pump that also needs to be made of stainless steel to withstand pressuring the succinic acid feed to 150 atm.		Of particular interest are the large costs of the reactor and pump P-101. The reactor costs nearly 2 MM$ because it has a moderate size with a liquid volume of 16.7 m3, and it operates at 150 atm, which requires a strong stainless steel shell for safety purposes. Pump P-101 has such a large capital cost because it is a centrifugal multistage pump that also needs to be made of stainless steel to withstand pressuring the succinic acid feed to 150 atm.

Karetstik: /* Mass and energy balances */

2014-03-15T05:29:46Z

Mass and energy balances

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	===Mass and energy balances===		===Mass and energy balances===
	Using an Aspen HYSYS simulation we were able to record the material and energy streams going in and out of the process system~~. Mass and energy balances are provided Appendix D where each inlet and outlet stream is described and quantified~~. As expected, the material and energy totals for the inlet and outlet streams add together to equal 0. This proves that our system is mathematically prudent and thermodynamically feasible. The total mass flow of the system is 15,639 kg/h and the total energy in and out of the system is 1.41e8 kJ/h.		Using an Aspen HYSYS simulation we were able to record the material and energy streams going in and out of the process system. As expected, the material and energy totals for the inlet and outlet streams add together to equal 0. This proves that our system is mathematically prudent and thermodynamically feasible. The total mass flow of the system is 15,639 kg/h and the total energy in and out of the system is 1.41e8 kJ/h.

	===HYSYS simulation===		===HYSYS simulation===