The Center for Environmentally Beneficial Catalysis

The University of Kansas

Developing environmentally responsible and economically viable catalysts, products, and processes for the chemicals processing industries

The vision of The Center for Environmentally Beneficial Catalysis (CEBC) is to generate technologies that will transform the catalytic manufacture and use of chemicals into inherently safe and ecologically responsible processes, while retaining their economic viability.

The chemical industry is vital to this nation's economy, with products worth nearly $340 billion annually. Environmental issues cost the chemical industry about 3 percent of its sales revenue or $10 billion each year. The impact of CEBC is expected to be a transformed set of industries wherein pollution prevention and environmental sustainability replace waste generation, pollution, regulation, and remediation. Examples of such envisioned transformations are:

• catalytic processes in which conventional organic and chlorinated solvents are either totally eliminated or significantly replaced by benign solvents such as carbon dioxide or water;
• processes in which liquid acids are replaced by benign solid acids;
• processes where biocatalysts (enzymes/microbial cells) replace heavy metal or strong acid/base catalysts;
• advanced processes which implement modified enzymes or enzyme mimics that are smaller, simpler, and more durable than enzymes, yet maintain their powerful selectivity and activity;
• processes that utilize raw materials efficiently in their conversion to desired products.

The challenge is to develop environmentally beneficial processes that are stable and economically viable when operated at the desired production scales. We envision creating a knowledge base of catalysis that facilitates ready access to the science, technology, and environmental impacts of catalyst systems, leading to the discovery of a catalyst discovery system.

The Center's vision includes the education of a future workforce of engineers and scientists that will be uniquely trained in the engineering, science, and optimization of environmentally beneficial, economically viable catalytic processes.

Molecular-scale simulations of catalytic active sites by CEBC researchers, such as this cobalt complex, are used to guide the rational design of novel catalysts.

Research

The “Engineered Systems” that CEBC develops consist of bench-scale, proof-of-concept reaction

systems that are developed in sufficient detail to allow CEBC's industrial partners to make informed business decisions about scaling up the technology. The technology elements of an engineered system may be viewed as (a) the raw materials or feed, (b) catalysts that transform the raw materials to desired products, (c) solvent media or solid supports that provide an optimal environment for the catalyst to function effectively without loss, and (d) the type of multiphase reactor with the proper hydrodynamics to facilitate the transformation of raw materials to desired product.

CEBC will develop and assemble the engineered system, beginning with its conception through industrial/academic interactions, using a “multiscale” approach. In this approach, the engineered system is designed from the start, taking into account the full range of length and time scales from the design of catalysts and catalytic reaction chemistry at the pico- and nanometer molecular level, to fluid dynamics/ transport, to reactor configuration on the multimeter scale. CEBC links these disparate length and time scales by fostering close interdisciplinary research collaborations among theoretical and computational specialists, engineers, chemists, and industrial partners (with experience in plant scale perspectives). While such an approach is being increasingly espoused in industry, it is largely unfamiliar to the traditionally trained engineer or scientist.

The multiscalar research expertise is organized into four Thrust Groups: TG1, Catalyst Design and Preparation ; TG2, Media and Catalyst Supports ; TG3, Experimental Design and Advanced Measurements ; and TG4, Molecular (Structural and Dynamic) and Process Modeling/ Optimization . These thrusts collaborate among themselves and with industrial partners to systematically develop the technical elements of the engineered catalytic system for a given Testbed . Testbeds are classes of chemical reactions, or processes, that are important to industry and for which transformational technologies are sought by CEBC. CEBC research is conducted within the selected Testbeds.

The currently active CEBC Testbeds are: Solid Acid Catalysis, Hydroformylation, Selective Catalytic Oxidations, and Biocatalytic Oxidations. These research subjects were chosen through interactions with industrial representatives. Research is pursued as crosscutting investigations of Testbed Projects that simultaneously draw on the contributions of all experts in the Thrust Groups that are appropriate to any given stage of research.

Under each Testbed, a specific example, or Testbed Project, is chosen to develop the “engineered catalytic system.” For a specific Testbed Project, research aimed at creating the new engineered catalytic system may be initiated at any point in the multiscale process and Thrust Group expertise of CEBC. Research may be initiated with either the design of new catalyst molecules or the deployment of known catalysts. Parallel fundamental studies would include the assessment of delivery systems (media, supports, etc.), followed by thorough performance and mechanistic investigations based on sound knowledge of the state-of-the-art. Then the application of engineering principles and methodologies will carry the innovations from the molecular level through the fluid dynamics considerations of lab scale reactors to the design and modeling of bench scale engineered systems. Throughout these developments, continuous feedback would accelerate the approach to optimization. In this way, CEBC will make available transformational catalytic process concepts for industries, including agriculture, fine and specialty chemicals, consumer products, petroleum and petrochemical processes, and pharmaceuticals.

Education

The educational mission of CEBC is to provide graduate and undergraduate participants with an unparalleled research experience enriched in topics related to environmentally beneficial engineering and chemistry. Graduates will be prepared to lead in the dissemination of related engineering and science concepts to university students, industrial researchers, and/or the public.

Improving engineering and science education at all levels is a core objective of CEBC. CEBC is committed to:

• improvement of graduate and undergraduate science and engineering education,
• mentoring of future science teachers and university faculty,
• dissemination of research results to professionals in technical short-courses,
• increasing the pool of underrepresented students pursuing graduate degrees in engineering and the sciences, and
• community outreach through mentoring of K-12 classes and public education activities.

Every scientist and student involved in CEBC programs is expected to make a contribution to the educational mission of the Center in one or more of the following activities: training graduate students, teaching core and/or short courses, mentoring summer REU students, and participating in outreach activities. Projects supported by the educational initiative of CEBC will institute curricular reforms, develop programs aligned with our educational objectives, and provide outreach and teaching opportunities for undergraduate and graduate students.

Industrial Collaboration and Technology Transfer

The goal of CEBC's industrial collaboration and technology transfer program is to develop a mutually beneficial partnership with industries that:

• helps companies access novel technologies that will, in turn, enhance their competitiveness in the global marketplace;
• establishes a unique and top-notch research infrastructure, in terms of experts and equipment, for multiscale discovery and molecular and process engineering of green catalytic systems;
• strives to ensure that environmentally beneficial technologies are indeed commercialized in a timely manner for the benefit of society;
• contributes to the expansion of the workforce of chemical engineers and scientists and help diversify this human resource;
• works toward a self-sustaining base of industrial support for CEBC.

Enzymatic and whole-cell biocatalytic transformations are investigated by a researcher at the University of Iowa.

Benefits to CEBC industrial partners include:

• continuous and timely updates of the latest developments in environmentally friendly catalyst chemistry and technology;
• first opportunity at licensing and commercialization of novel environmentally friendly technologies;
• an active role in guiding the research and student development at CEBC, through membership in the Industrial Advisory Board;
• significant leveraging of their research dollars;
• exceptional opportunities for the support of collaborative research with exclusive licensing of intellectual properties;
• participation in exchange programs for students, faculty, and industrial scientists;
• participation in seminars and short courses; and
• opportunities to become acquainted with many young engineers and scientists as they prepare to enter the workforce.

Figure 2. The CEBC education program is designed to impact all stages in the development of next-generation engineers and scientists.

CEBC works with a wide spectrum of businesses, including those from the petrochemical, agricultural, household product, pharmaceutical, commodity and specialty chemicals industries, as well as catalyst manufacturers and technology development firms. These companies help CEBC identify areas of research that have potential for significant economic and environmental impacts, and provide guidance on the technical barriers and constraints for commercialization. Industry-student interactions, whether at biannual meetings or through mentoring and internships, provide industry with access to uniquely trained engineers and scientists.

Facilities

Cumulatively, the personnel and facilities at the partner institutions represent a unique resource for catalysis and reaction engineering research. The CEBC faculty at the four core partner institutions occupy more than 60,000 sq. ft. of laboratory space. In addition to conventional wet chemistry and reactor engineering facilities, CEBC makes available a complement of specialized equipment, including high-pressure reactors equipped for in-situ spectroscopy, state of the art biocatalyst fermentation facilities, cutting edge analytical devices and computational tools for flow visualization in multiphase reactors, combined IR/Raman microscopy, high-pressure Nuclear Magnetic Resonance spectroscopy cells, and a dedicated 24-processor workstation for molecular-scale computations.

The effects of multiphase reactor scaleup are evaluated in laboratories at Washington University in St. Louis.

In addition, the University of Kansas has made available approximately 10,600 sq. ft. of headquarters and modern laboratory space (valued at $6 million) in a recently acquired facility. The executive suite in the office building houses the Director, Deputy Director, Administrative Director, Education Director, Industrial Liaison Director, and support staff of CEBC. The research space in an adjacent building will accommodate special research infrastructure of CEBC (that complement existing infrastructure), and has several separate laboratories for industry-sponsored projects, offices for research personnel, a conference room and a classroom.

CEBC is developing a cyber-infrastructure that eliminates the inter- and intra-campus distance barriers and promotes active communications that are essential for productive and successful cross-disciplinary collaborations in research and education. Each CEBC core partner has adopted multi-point video-conferencing equipment to conduct weekly seminars, research and administrative meetings among the three campuses. In the long term, seminar rooms used regularly by CEBC personnel at the core universities will be equipped with high-quality video systems adequate to create a greater sense of mutual presence. At the same time, capabilities for informal communication, such as Smartboards, will be augmented.

High pressure view-cell reactors are used by graduate students at the University of Kansas to investigate reactions in carbon dioxide-expanded liquids (CXLs).

Center Configuration, Leadership, Team Structure

The Center is headquartered at the University of Kansas (KU), with core partners at the University of Iowa (UI), Washington University in Saint Louis (WUStL), and Prairie View A&M University (PVAMU). KU personnel provide strengths in catalyst design and synthesis, media and catalyst supports, experimental design and advanced measurements, molecular (structural and dynamic) modeling. UI brings strength in biocatalysis and bioprocessing, and WUStL extends CEBC proficiency to a larger scale, including process modeling/optimization and scale-up. PVAMU brings expertise in environmental engineering and bioengineering. The research at each campus cuts across multiple thrust groups, and all systems projects require active collaboration across campuses.

The CEBC management team is composed of chemical engineers and chemists. The Industrial Advisory Board (IAB), comprised of representatives from each Member Company is advisory to Center operations, research and long-range plans, policies and procedures. An Executive Technical Advisory Committee (ETAC) proposes policy based on the findings of the IAB. The Academic Advisory Committee ensures that CEBC's programs are consistent with the Institutions' policies and will coordinate intra-campus matters. The Student Leadership Council provides periodic assessment on matters relating to the well-being of CEBC students while the Scientific Advisory Board will provide an independent assessment of CEBC research programs relative to the state of the art. An advisory committee on diversity will assess and provide guidance to CEBC's minority recruitment and outreach efforts. A full-time Education Program Coordinator will assist the CEBC directors in implementing the multi-campus education, outreach, and diversity programs.

Center Headquarters

The Center for Environmentally Beneficial Catalysis
Headquarters and Administrative Offices
1501 Wakarusa Drive
Building A, Suite 110
Lawrence , KS 66047
Tel (785) 330-4360 • Fax (785) 330-4455
E-mail: cebc@ku.edu
Homepage: www.ku.edu/~cebc

Center Director:
Bala Subramaniam
(785) 864-2903 • bsubramaniam@ku.edu

Deputy Director:
Daryle Busch
(785) 330-4377 • dhbusch@ku.edu

Associate Director:
John Rosazza
( University of Iowa )
(319) 335-8842 • john-rosazza@uiowa.edu

Associate Director:
Milorad Dudukovic
( Washington University in St. Louis )
(314) 935-6021 • dudu@poly1.che.wustl.edu

Associate Director:
Irvin Osborne-Lee
( Prairie View A&M University )
(936) 857-2427 • oslee@pvamu.edu

Education Program Director:
Joseph Heppert
( 785) 864-4150 • jheppert@ku.edu

Administrative Director:
Christopher J. Lyon
(785) 330-4363 • lyon@ku.edu

Administrative Assistant:
Deanna Bieberly
(785) 330-4376 • deannab@ku.edu

Industrial Liaison Director:
Darryl Fahey
(785) 330-4380 • dfahey@ku@edu

Education Program Coordinator:
Gary Webber
(785) 330-4378 • gwebber@ku.edu

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